 Entering Gaussian System, Link 0=g16
 Input=11_L-cysteine_conformer08_STD_wB97XD_augccpVDZ.in
 Output=11_L-cysteine_conformer08_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-105804.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    105805.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=11_L-cysteine_conformer08_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:05:45 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "11_L-cysteine_conformer08_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.761862000000     -0.588209000000      0.435893000000
  S                                                 2.483354000000     -0.175052000000     -0.048255000000
  C                                                -0.225287000000      0.170464000000     -0.451796000000
  N                                                -0.127633000000      1.615463000000     -0.235189000000
  C                                                -1.637783000000     -0.323724000000     -0.083339000000
  O                                                -2.038501000000     -1.416287000000     -0.375336000000
  O                                                -2.350874000000      0.562455000000      0.617876000000
  H                                                -0.057499000000     -0.120065000000     -1.493087000000
  H                                                 0.610604000000     -0.305865000000      1.477689000000
  H                                                 0.587510000000     -1.654777000000      0.324053000000
  H                                                -1.776658000000      1.360502000000      0.685452000000
  H                                                 0.813664000000      1.874630000000      0.039632000000
  H                                                -0.355531000000      2.133785000000     -1.074456000000
  H                                                 3.059912000000     -0.516154000000      1.114249000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          32          12          14          12          16          16           1           1           1
 AtmWgt=  12.0000000  31.9720718  12.0000000  14.0030740  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           2           0           0           0           1           1           1
 AtZEff=   3.6000000  13.6000000   3.6000000   4.5500000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000  16.0000000   6.0000000   7.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 22:05:45 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.761862   -0.588209    0.435893
      2         16           0        2.483354   -0.175052   -0.048255
      3          6           0       -0.225287    0.170464   -0.451796
      4          7           0       -0.127633    1.615463   -0.235189
      5          6           0       -1.637783   -0.323724   -0.083339
      6          8           0       -2.038501   -1.416287   -0.375336
      7          8           0       -2.350874    0.562455    0.617876
      8          1           0       -0.057499   -0.120065   -1.493087
      9          1           0        0.610604   -0.305865    1.477689
     10          1           0        0.587510   -1.654777    0.324053
     11          1           0       -1.776658    1.360502    0.685452
     12          1           0        0.813664    1.874630    0.039632
     13          1           0       -0.355531    2.133785   -1.074456
     14          1           0        3.059912   -0.516154    1.114249
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  S    1.835384   0.000000
     3  C    1.529065   2.760247   0.000000
     4  N    2.469357   3.171457   1.464403   0.000000
     5  C    2.469383   4.123967   1.541145   2.462531   0.000000
     6  O    3.030815   4.700513   2.410678   3.586442   1.199805
     7  O    3.323593   4.935322   2.411633   2.603718   1.336231
     8  H    2.147435   2.923439   1.094005   2.144594   2.127478
     9  H    1.089925   2.419258   2.156042   2.677769   2.737220
    10  H    1.086496   2.433603   2.143382   3.393914   2.624805
    11  H    3.209959   4.587369   2.261919   1.905746   1.856594
    12  H    2.495052   2.645144   2.055505   1.014265   3.295068
    13  H    3.307412   3.800406   2.063807   1.012405   2.943779
    14  H    2.397163   1.341710   3.703576   4.065122   4.851761
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.235949   0.000000
     8  H    2.618001   3.190857   0.000000
     9  H    3.418259   3.203687   3.050638   0.000000
    10  H    2.727995   3.692770   2.464422   1.775098   0.000000
    11  H    2.984022   0.985479   3.145412   3.017190   3.848611
    12  H    4.374606   3.474258   2.662135   2.619885   3.548064
    13  H    3.990510   3.051960   2.311691   3.660431   4.147090
    14  H    5.387292   5.539530   4.083300   2.485039   2.834368
                   11         12         13         14
    11  H    0.000000
    12  H    2.718672   0.000000
    13  H    2.390574   1.635656   0.000000
    14  H    5.205585   3.451997   4.845395   0.000000
 Stoichiometry    C3H7NO2S
 Framework group  C1[X(C3H7NO2S)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 8.93D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.761862   -0.588209    0.435893
      2         16           0        2.483354   -0.175052   -0.048255
      3          6           0       -0.225287    0.170464   -0.451796
      4          7           0       -0.127633    1.615463   -0.235189
      5          6           0       -1.637783   -0.323724   -0.083339
      6          8           0       -2.038501   -1.416287   -0.375336
      7          8           0       -2.350874    0.562455    0.617876
      8          1           0       -0.057499   -0.120065   -1.493087
      9          1           0        0.610604   -0.305865    1.477689
     10          1           0        0.587510   -1.654777    0.324053
     11          1           0       -1.776658    1.360502    0.685452
     12          1           0        0.813664    1.874630    0.039632
     13          1           0       -0.355531    2.133785   -1.074456
     14          1           0        3.059912   -0.516154    1.114249
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.4000722           1.1821391           1.0113058
 Leave Link  202 at Thu Aug 12 22:05:45 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      3      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  2.4763500000D-04
     Exponent=  1.6610000000D+04 Coefficients=  1.9202600000D-03
     Exponent=  3.7810000000D+03 Coefficients=  9.9619200000D-03
     Exponent=  1.0710000000D+03 Coefficients=  4.0297500000D-02
     Exponent=  3.4980000000D+02 Coefficients=  1.2860400000D-01
     Exponent=  1.2630000000D+02 Coefficients=  3.0348000000D-01
     Exponent=  4.9260000000D+01 Coefficients=  4.2143200000D-01
     Exponent=  2.0160000000D+01 Coefficients=  2.3078100000D-01
     Exponent=  5.7200000000D+00 Coefficients=  1.7897100000D-02
     Exponent=  2.1820000000D+00 Coefficients= -2.9751600000D-03
     Exponent=  4.3270000000D-01 Coefficients=  8.4952200000D-04
     Exponent=  1.5700000000D-01 Coefficients= -3.6793600000D-04
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients= -6.8703900000D-05
     Exponent=  1.6610000000D+04 Coefficients= -5.2768100000D-04
     Exponent=  3.7810000000D+03 Coefficients= -2.7967100000D-03
     Exponent=  1.0710000000D+03 Coefficients= -1.1265100000D-02
     Exponent=  3.4980000000D+02 Coefficients= -3.8883400000D-02
     Exponent=  1.2630000000D+02 Coefficients= -9.9502500000D-02
     Exponent=  4.9260000000D+01 Coefficients= -1.9974000000D-01
     Exponent=  2.0160000000D+01 Coefficients= -1.2336000000D-01
     Exponent=  5.7200000000D+00 Coefficients=  5.1319400000D-01
     Exponent=  2.1820000000D+00 Coefficients=  6.0712000000D-01
     Exponent=  4.3270000000D-01 Coefficients=  3.9675300000D-02
     Exponent=  1.5700000000D-01 Coefficients= -9.4686400000D-03
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  1.9907700000D-05
     Exponent=  1.6610000000D+04 Coefficients=  1.5348300000D-04
     Exponent=  3.7810000000D+03 Coefficients=  8.0950300000D-04
     Exponent=  1.0710000000D+03 Coefficients=  3.2897400000D-03
     Exponent=  3.4980000000D+02 Coefficients=  1.1296700000D-02
     Exponent=  1.2630000000D+02 Coefficients=  2.9638500000D-02
     Exponent=  4.9260000000D+01 Coefficients=  5.9985100000D-02
     Exponent=  2.0160000000D+01 Coefficients=  4.1324800000D-02
     Exponent=  5.7200000000D+00 Coefficients= -2.0747400000D-01
     Exponent=  2.1820000000D+00 Coefficients= -3.9288900000D-01
     Exponent=  4.3270000000D-01 Coefficients=  6.3284000000D-01
     Exponent=  1.5700000000D-01 Coefficients=  5.5692400000D-01
 S 1 1.00
     Exponent=  1.5700000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.0700000000D-02 Coefficients=  1.0000000000D+00
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients=  4.4754100000D-03
     Exponent=  9.4190000000D+01 Coefficients=  3.4170800000D-02
     Exponent=  2.9750000000D+01 Coefficients=  1.4425000000D-01
     Exponent=  1.0770000000D+01 Coefficients=  3.5392800000D-01
     Exponent=  4.1190000000D+00 Coefficients=  4.5908500000D-01
     Exponent=  1.6250000000D+00 Coefficients=  2.0638300000D-01
     Exponent=  4.7260000000D-01 Coefficients=  1.0214100000D-02
     Exponent=  1.4070000000D-01 Coefficients= -6.0312200000D-05
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients= -1.1625100000D-03
     Exponent=  9.4190000000D+01 Coefficients= -8.6566400000D-03
     Exponent=  2.9750000000D+01 Coefficients= -3.9088600000D-02
     Exponent=  1.0770000000D+01 Coefficients= -9.3462500000D-02
     Exponent=  4.1190000000D+00 Coefficients= -1.4799400000D-01
     Exponent=  1.6250000000D+00 Coefficients=  3.0190400000D-02
     Exponent=  4.7260000000D-01 Coefficients=  5.6157300000D-01
     Exponent=  1.4070000000D-01 Coefficients=  5.3477600000D-01
 P 1 1.00
     Exponent=  1.4070000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.9900000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.7900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 282 were deleted.
 There are   242 symmetry adapted cartesian basis functions of A   symmetry.
 There are   228 symmetry adapted basis functions of A   symmetry.
   228 basis functions,   447 primitive gaussians,   242 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       376.1338853749 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0067300170 Hartrees.
 Nuclear repulsion after empirical dispersion term =      376.1271553578 Hartrees.
 Leave Link  301 at Thu Aug 12 22:05:47 2021, MaxMem=  5368709120 cpu:              10.9 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   228 RedAO= T EigKep=  1.60D-05  NBF=   228
 NBsUse=   228 1.00D-06 EigRej= -1.00D+00 NBFU=   228
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   242   242   242   242   242 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 22:05:47 2021, MaxMem=  5368709120 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:05:47 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "11_L-cysteine_conformer08_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:05:48 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368587670 LenY=  5368528665
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -721.885912994472    
 DIIS: error= 5.06D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -721.885912994472     IErMin= 1 ErrMin= 5.06D-03
 ErrMax= 5.06D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.37D-03 BMatP= 7.37D-03
 IDIUse=3 WtCom= 9.49D-01 WtEn= 5.06D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.401 Goal=   None    Shift=    0.000
 GapD=    0.401 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=7.43D-03 MaxDP=2.88D-01              OVMax= 1.40D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.37D-03    CP:  9.66D-01
 E= -721.891216641955     Delta-E=       -0.005303647483 Rises=F Damp=F
 DIIS: error= 4.26D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -721.891216641955     IErMin= 2 ErrMin= 4.26D-04
 ErrMax= 4.26D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-04 BMatP= 7.37D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.26D-03
 Coeff-Com: -0.239D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.238D-01 0.102D+01
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.13D-03 MaxDP=4.91D-02 DE=-5.30D-03 OVMax= 5.82D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.43D-04    CP:  9.62D-01  1.13D+00
 E= -721.891383829352     Delta-E=       -0.000167187397 Rises=F Damp=F
 DIIS: error= 3.93D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -721.891383829352     IErMin= 3 ErrMin= 3.93D-04
 ErrMax= 3.93D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-04 BMatP= 1.51D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.93D-03
 Coeff-Com: -0.327D-01 0.477D+00 0.556D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.326D-01 0.475D+00 0.558D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=1.48D-04 MaxDP=6.46D-03 DE=-1.67D-04 OVMax= 1.81D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.25D-05    CP:  9.61D-01  1.14D+00  1.13D+00
 E= -721.891465849310     Delta-E=       -0.000082019958 Rises=F Damp=F
 DIIS: error= 1.04D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -721.891465849310     IErMin= 4 ErrMin= 1.04D-04
 ErrMax= 1.04D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.14D-06 BMatP= 1.12D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.04D-03
 Coeff-Com: -0.529D-02-0.699D-02 0.145D+00 0.867D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.529D-02-0.698D-02 0.145D+00 0.867D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=1.00D-04 MaxDP=5.11D-03 DE=-8.20D-05 OVMax= 7.93D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.81D-05    CP:  9.61D-01  1.14D+00  1.24D+00  1.20D+00
 E= -721.891471663692     Delta-E=       -0.000005814382 Rises=F Damp=F
 DIIS: error= 4.35D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -721.891471663692     IErMin= 5 ErrMin= 4.35D-05
 ErrMax= 4.35D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-06 BMatP= 5.14D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.129D-02-0.529D-01 0.810D-03 0.374D+00 0.676D+00
 Coeff:      0.129D-02-0.529D-01 0.810D-03 0.374D+00 0.676D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=2.81D-05 MaxDP=1.50D-03 DE=-5.81D-06 OVMax= 3.79D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.25D-05    CP:  9.61D-01  1.15D+00  1.27D+00  1.31D+00  1.16D+00
 E= -721.891472796483     Delta-E=       -0.000001132791 Rises=F Damp=F
 DIIS: error= 1.24D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -721.891472796483     IErMin= 6 ErrMin= 1.24D-05
 ErrMax= 1.24D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-07 BMatP= 1.05D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.102D-02-0.214D-01-0.134D-01 0.755D-01 0.297D+00 0.662D+00
 Coeff:      0.102D-02-0.214D-01-0.134D-01 0.755D-01 0.297D+00 0.662D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=6.81D-06 MaxDP=3.55D-04 DE=-1.13D-06 OVMax= 1.21D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.38D-06    CP:  9.61D-01  1.15D+00  1.28D+00  1.34D+00  1.26D+00
                    CP:  1.15D+00
 E= -721.891472908008     Delta-E=       -0.000000111525 Rises=F Damp=F
 DIIS: error= 4.48D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -721.891472908008     IErMin= 7 ErrMin= 4.48D-06
 ErrMax= 4.48D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-08 BMatP= 1.19D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.164D-03 0.113D-02-0.572D-02-0.406D-01 0.643D-02 0.297D+00
 Coeff-Com:  0.741D+00
 Coeff:      0.164D-03 0.113D-02-0.572D-02-0.406D-01 0.643D-02 0.297D+00
 Coeff:      0.741D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=3.46D-06 MaxDP=1.38D-04 DE=-1.12D-07 OVMax= 5.50D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.51D-06    CP:  9.61D-01  1.15D+00  1.28D+00  1.35D+00  1.31D+00
                    CP:  1.26D+00  1.24D+00
 E= -721.891472929215     Delta-E=       -0.000000021207 Rises=F Damp=F
 DIIS: error= 1.23D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -721.891472929215     IErMin= 8 ErrMin= 1.23D-06
 ErrMax= 1.23D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-09 BMatP= 1.85D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.315D-04 0.235D-02-0.642D-03-0.213D-01-0.258D-01 0.321D-01
 Coeff-Com:  0.249D+00 0.765D+00
 Coeff:     -0.315D-04 0.235D-02-0.642D-03-0.213D-01-0.258D-01 0.321D-01
 Coeff:      0.249D+00 0.765D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.02D-06 MaxDP=3.20D-05 DE=-2.12D-08 OVMax= 1.86D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.86D-07    CP:  9.61D-01  1.15D+00  1.28D+00  1.35D+00  1.32D+00
                    CP:  1.30D+00  1.34D+00  1.19D+00
 E= -721.891472930833     Delta-E=       -0.000000001618 Rises=F Damp=F
 DIIS: error= 3.71D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -721.891472930833     IErMin= 9 ErrMin= 3.71D-07
 ErrMax= 3.71D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.01D-11 BMatP= 1.20D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.225D-04 0.585D-03 0.333D-03-0.295D-02-0.823D-02-0.177D-01
 Coeff-Com:  0.136D-01 0.220D+00 0.794D+00
 Coeff:     -0.225D-04 0.585D-03 0.333D-03-0.295D-02-0.823D-02-0.177D-01
 Coeff:      0.136D-01 0.220D+00 0.794D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=3.10D-07 MaxDP=1.10D-05 DE=-1.62D-09 OVMax= 6.61D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.23D-07    CP:  9.61D-01  1.15D+00  1.28D+00  1.35D+00  1.32D+00
                    CP:  1.31D+00  1.39D+00  1.30D+00  1.12D+00
 E= -721.891472930970     Delta-E=       -0.000000000138 Rises=F Damp=F
 DIIS: error= 1.21D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -721.891472930970     IErMin=10 ErrMin= 1.21D-07
 ErrMax= 1.21D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-11 BMatP= 9.01D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.400D-05-0.873D-04 0.187D-03 0.166D-02 0.717D-03-0.968D-02
 Coeff-Com: -0.236D-01-0.282D-01 0.231D+00 0.828D+00
 Coeff:     -0.400D-05-0.873D-04 0.187D-03 0.166D-02 0.717D-03-0.968D-02
 Coeff:     -0.236D-01-0.282D-01 0.231D+00 0.828D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.01D-07 MaxDP=4.17D-06 DE=-1.38D-10 OVMax= 1.99D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.45D-08    CP:  9.61D-01  1.15D+00  1.28D+00  1.35D+00  1.32D+00
                    CP:  1.31D+00  1.40D+00  1.33D+00  1.23D+00  1.14D+00
 E= -721.891472930977     Delta-E=       -0.000000000007 Rises=F Damp=F
 DIIS: error= 1.96D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -721.891472930977     IErMin=11 ErrMin= 1.96D-08
 ErrMax= 1.96D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.66D-13 BMatP= 1.02D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.122D-05-0.480D-04-0.164D-04 0.346D-03 0.719D-03 0.606D-05
 Coeff-Com: -0.291D-02-0.163D-01-0.316D-01 0.700D-01 0.980D+00
 Coeff:      0.122D-05-0.480D-04-0.164D-04 0.346D-03 0.719D-03 0.606D-05
 Coeff:     -0.291D-02-0.163D-01-0.316D-01 0.700D-01 0.980D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=2.59D-08 MaxDP=1.06D-06 DE=-6.82D-12 OVMax= 5.88D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.09D-08    CP:  9.61D-01  1.15D+00  1.28D+00  1.35D+00  1.32D+00
                    CP:  1.31D+00  1.40D+00  1.33D+00  1.25D+00  1.24D+00
                    CP:  1.26D+00
 E= -721.891472930992     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 6.88D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -721.891472930992     IErMin=12 ErrMin= 6.88D-09
 ErrMax= 6.88D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.67D-14 BMatP= 3.66D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.501D-06-0.164D-05-0.168D-04-0.646D-04 0.834D-04 0.646D-03
 Coeff-Com:  0.127D-02-0.241D-03-0.211D-01-0.493D-01 0.133D+00 0.935D+00
 Coeff:      0.501D-06-0.164D-05-0.168D-04-0.646D-04 0.834D-04 0.646D-03
 Coeff:      0.127D-02-0.241D-03-0.211D-01-0.493D-01 0.133D+00 0.935D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=7.66D-09 MaxDP=3.34D-07 DE=-1.48D-11 OVMax= 2.05D-07

 SCF Done:  E(RwB97XD) =  -721.891472931     A.U. after   12 cycles
            NFock= 12  Conv=0.77D-08     -V/T= 2.0040
 KE= 7.190141922988D+02 PE=-2.456167925081D+03 EE= 6.391351044931D+02
 Leave Link  502 at Thu Aug 12 22:06:46 2021, MaxMem=  5368709120 cpu:             463.1 elap:              58.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   228
 NBasis=   228 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    228 NOA=    32 NOB=    32 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.47162557D+02

 Leave Link  801 at Thu Aug 12 22:06:46 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4327 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.05D-13 8.33D-09 XBig12= 1.00D+00 2.12D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.05D-13 8.33D-09 XBig12= 1.89D-01 9.97D-02.
     11 vectors produced by pass  2 Test12= 1.05D-13 8.33D-09 XBig12= 3.35D-02 3.14D-02.
     11 vectors produced by pass  3 Test12= 1.05D-13 8.33D-09 XBig12= 2.79D-03 1.17D-02.
     11 vectors produced by pass  4 Test12= 1.05D-13 8.33D-09 XBig12= 1.13D-04 1.93D-03.
     11 vectors produced by pass  5 Test12= 1.05D-13 8.33D-09 XBig12= 3.05D-06 3.14D-04.
     11 vectors produced by pass  6 Test12= 1.05D-13 8.33D-09 XBig12= 8.66D-08 4.80D-05.
     11 vectors produced by pass  7 Test12= 1.05D-13 8.33D-09 XBig12= 1.66D-09 5.84D-06.
     11 vectors produced by pass  8 Test12= 1.05D-13 8.33D-09 XBig12= 3.22D-11 7.78D-07.
     10 vectors produced by pass  9 Test12= 1.05D-13 8.33D-09 XBig12= 4.56D-13 8.03D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.60D-14
 Solved reduced A of dimension   109 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.914806D+02
      2  0.958063D+00  0.754649D+02
      3 -0.100531D+01  0.233371D+01  0.630504D+02
 Isotropic polarizability for W=    0.088559       76.67 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.100008D+03 -0.170499D+02  0.147691D+02
      2  -0.586851D+02  0.131504D+02 -0.139596D+02
      3  -0.413233D+02  0.389953D+01 -0.809483D+00
      4  -0.191262D+02  0.142465D+02 -0.170536D+02
      5   0.172535D+02 -0.179346D+02  0.503886D+02
      6  -0.562816D+01 -0.691140D+01  0.330247D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.268300D+01 -0.454479D+00 -0.154058D+01
      2   0.733752D+01 -0.641995D+01  0.280043D+02
      3   0.786397D+01 -0.157220D+02  0.492199D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.881022D+00  0.704821D+01  0.597068D+00
      2  -0.248441D+01 -0.114255D+02  0.917119D+02
      3  -0.207627D+01 -0.729316D+02  0.123065D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.969234D+00 -0.115029D+01 -0.176575D+01
      2  -0.115029D+01  0.946129D+00 -0.723050D+00
      3  -0.176575D+01 -0.723050D+00  0.120814D+01
 OR G Eigenvalues:    -2.4908     1.4758     2.2000  Iso=    -0.3950
 Eigenvectors:
   (1)   0.809417   0.367296   0.458190
   (2)  -0.364205   0.926047  -0.098955
   (3)  -0.460651  -0.086779   0.883329
 w=    0.088559 a.u., Optical Rotation Beta=     -0.3950 au.
 Molar Mass =    121.1538 grams/mole, [Alpha] ( 5145.0 A) =     -165.33 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   26106 ScalPx= 9.20D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.42D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.74D-14 2.78D-09 XBig12= 1.00D+00 3.69D-01.
     30 vectors produced by pass  1 Test12= 1.74D-14 2.78D-09 XBig12= 2.07D-02 2.79D-02.
     30 vectors produced by pass  2 Test12= 1.74D-14 2.78D-09 XBig12= 8.62D-04 3.98D-03.
     30 vectors produced by pass  3 Test12= 1.74D-14 2.78D-09 XBig12= 9.51D-06 5.03D-04.
     30 vectors produced by pass  4 Test12= 1.74D-14 2.78D-09 XBig12= 9.36D-08 4.75D-05.
     30 vectors produced by pass  5 Test12= 1.74D-14 2.78D-09 XBig12= 9.39D-10 3.64D-06.
     30 vectors produced by pass  6 Test12= 1.74D-14 2.78D-09 XBig12= 6.93D-12 3.91D-07.
     30 vectors produced by pass  7 Test12= 1.74D-14 2.78D-09 XBig12= 5.28D-14 3.45D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 8.39D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 8.39D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.84D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.914806D+02  0.958063D+00 -0.100531D+01
      2   0.958063D+00  0.754649D+02  0.233371D+01
      3  -0.100531D+01  0.233371D+01  0.630504D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.268300D+01 -0.454479D+00 -0.154058D+01
      2   0.733752D+01 -0.641995D+01  0.280043D+02
      3   0.786397D+01 -0.157220D+02  0.492199D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.100008D+03 -0.170499D+02  0.147691D+02
      2  -0.586851D+02  0.131504D+02 -0.139596D+02
      3  -0.413233D+02  0.389953D+01 -0.809483D+00
      4  -0.191262D+02  0.142465D+02 -0.170536D+02
      5   0.172535D+02 -0.179346D+02  0.503886D+02
      6  -0.562816D+01 -0.691140D+01  0.330247D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.123918D+02 -0.210448D+01  0.200752D+01 -0.397779D+01  0.229463D+01
      2  -0.210448D+01 -0.299865D+00 -0.617731D+00  0.229463D+01  0.362816D+01
      3   0.200752D+01 -0.617731D+00 -0.596342D-01  0.195468D+00  0.105936D+00
                 6             7             8             9            10 
      1   0.195468D+00  0.363769D+01  0.593316D+00  0.127411D+01  0.139971D+02
      2   0.105936D+00  0.593316D+00  0.151041D+01 -0.905754D+00  0.254611D+01
      3  -0.203228D+01  0.127411D+01 -0.905754D+00 -0.442104D+01 -0.441798D+01
                11            12            13            14            15 
      1   0.254611D+01 -0.441798D+01  0.424714D+01  0.267282D+01  0.631861D+00
      2   0.205737D+01  0.694740D+00  0.267282D+01  0.100311D+00 -0.959455D+00
      3   0.694740D+00 -0.465709D+00  0.631861D+00 -0.959455D+00  0.217012D+01
                16            17            18            19            20 
      1  -0.696609D+01  0.832271D+00  0.940386D+00  0.332870D+01  0.174481D+01
      2   0.832271D+00 -0.183855D+01  0.191522D+01  0.174481D+01 -0.848773D+00
      3   0.940386D+00  0.191522D+01 -0.664667D+01 -0.132472D+01 -0.389126D-01
                21            22            23            24            25 
      1  -0.132472D+01  0.436245D+01 -0.366067D+00  0.592708D+00 -0.343818D+01
      2  -0.389126D-01 -0.366067D+00 -0.242875D+01  0.477896D+00 -0.217454D+00
      3  -0.984182D+00  0.592708D+00  0.477896D+00  0.186982D+01 -0.124401D+01
                26            27            28            29            30 
      1  -0.217454D+00 -0.124401D+01 -0.505701D+01  0.154597D+00 -0.239517D+00
      2  -0.218248D+00  0.257629D+01  0.154597D+00 -0.106413D+01  0.944992D-01
      3   0.257629D+01  0.512026D+01 -0.239517D+00  0.944992D-01  0.120963D+01
                31            32            33            34            35 
      1  -0.110888D+01 -0.466412D+00 -0.766749D+00 -0.389216D+00 -0.573544D+00
      2  -0.466412D+00  0.307568D+01  0.138098D+01 -0.573544D+00  0.286944D+01
      3  -0.766749D+00  0.138098D+01 -0.172625D+01  0.114335D+01 -0.194387D+01
                36            37            38            39            40 
      1   0.114335D+01 -0.287181D+01 -0.532496D+00  0.844732D+00  0.447194D-02
      2  -0.194387D+01 -0.532496D+00  0.124290D+01  0.127947D+01  0.301185D+01
      3   0.205732D+01  0.844732D+00  0.127947D+01 -0.149562D-01  0.138609D+01
                41            42            43            44            45 
      1   0.301185D+01  0.138609D+01  0.173586D+01  0.184362D+01  0.378646D+00
      2   0.492411D+01  0.885706D+00  0.184362D+01  0.123810D+01 -0.191428D+00
      3   0.885706D+00  0.173203D+00  0.378646D+00 -0.191428D+00 -0.522735D+00
                46            47            48            49            50 
      1  -0.402970D+01 -0.389744D+01 -0.142864D+01 -0.510758D+01 -0.400594D+01
      2  -0.389744D+01 -0.289082D+01 -0.944657D+00 -0.400594D+01 -0.112223D+02
      3  -0.142864D+01 -0.944657D+00 -0.845512D+00 -0.803665D+00 -0.182336D+01
                51            52            53            54            55 
      1  -0.803665D+00 -0.163216D+01 -0.855847D+00 -0.192378D+01 -0.661451D+01
      2  -0.182336D+01 -0.855847D+00 -0.141054D+01 -0.295405D+01  0.115553D+01
      3  -0.241981D+01 -0.192378D+01 -0.295405D+01 -0.222325D+01  0.221489D+01
                56            57            58            59            60 
      1   0.115553D+01  0.221489D+01 -0.163955D+01 -0.375291D+01  0.396494D+00
      2  -0.255652D+01 -0.428405D+00 -0.375291D+01 -0.581173D+00  0.509556D+00
      3  -0.428405D+00 -0.130386D+01  0.396494D+00  0.509556D+00  0.107779D+00
                61            62            63            64            65 
      1   0.158297D+01 -0.888616D+00 -0.177257D+01  0.601529D+00 -0.665138D+00
      2  -0.888616D+00  0.242280D-01  0.110649D+01 -0.665138D+00  0.342002D+00
      3  -0.177257D+01  0.110649D+01  0.254078D+01 -0.773899D+00  0.165762D-01
                66            67            68            69            70 
      1  -0.773899D+00 -0.118517D+01  0.314544D+00 -0.230330D-01 -0.136879D+01
      2   0.165762D-01  0.314544D+00 -0.827105D+00 -0.135230D+01  0.118373D+00
      3   0.831785D+00 -0.230330D-01 -0.135230D+01 -0.155100D+01  0.137961D+00
                71            72            73            74            75 
      1   0.118373D+00  0.137961D+00  0.386182D+00  0.294102D+00  0.668302D+00
      2  -0.195805D+01 -0.158483D+01  0.294102D+00 -0.109590D-02  0.120304D+00
      3  -0.158483D+01 -0.733356D+01  0.668302D+00  0.120304D+00 -0.798347D+00
                76            77            78            79            80 
      1   0.154975D+01 -0.536165D+00 -0.979508D-01  0.245388D+01 -0.905272D-01
      2  -0.536165D+00  0.651377D-01  0.785714D+00 -0.905272D-01  0.847829D+00
      3  -0.979508D-01  0.785714D+00  0.141824D+01 -0.139639D+01 -0.192118D+00
                81            82            83            84            85 
      1  -0.139639D+01 -0.470184D+00 -0.655257D+00 -0.207016D+00 -0.262155D+01
      2  -0.192118D+00 -0.655257D+00 -0.459176D+00  0.264727D+00 -0.165869D+01
      3   0.690207D+01 -0.207016D+00  0.264727D+00 -0.151023D+00  0.209920D+00
                86            87            88            89            90 
      1  -0.165869D+01  0.209920D+00 -0.139499D+01 -0.336108D-01 -0.424114D+00
      2  -0.668243D+01  0.654135D+00 -0.336108D-01 -0.479548D+00 -0.770392D+00
      3   0.654135D+00 -0.742694D+00 -0.424114D+00 -0.770392D+00  0.323103D+00
                91            92            93            94            95 
      1   0.238246D+01  0.179958D+01 -0.833186D+00  0.428255D+01  0.503321D+00
      2   0.179958D+01  0.105949D+01 -0.137464D+00  0.503321D+00  0.420406D+01
      3  -0.833186D+00 -0.137464D+00  0.135585D+00 -0.112180D+01  0.830051D+00
                96            97            98            99           100 
      1  -0.112180D+01  0.478662D-01 -0.268699D+00 -0.414604D+00  0.653219D+01
      2   0.830051D+00 -0.268699D+00  0.884521D+00  0.831140D+00  0.441615D+00
      3   0.138762D+01 -0.414604D+00  0.831140D+00  0.134600D+01  0.102986D+01
               101           102           103           104           105 
      1   0.441615D+00  0.102986D+01  0.131403D+01  0.173728D+01 -0.272248D-01
      2   0.341917D+01 -0.145725D+00  0.173728D+01  0.209472D+01  0.104228D+00
      3  -0.145725D+00  0.772082D+00 -0.272248D-01  0.104228D+00  0.735446D+00
               106           107           108           109           110 
      1   0.208846D+01 -0.160953D-01  0.175408D+00 -0.726161D+00  0.758202D+00
      2  -0.160953D-01  0.823058D+00  0.654039D+00  0.758202D+00 -0.916011D+00
      3   0.175408D+00  0.654039D+00  0.404899D+00 -0.480649D+00  0.421385D+00
               111           112           113           114           115 
      1  -0.480649D+00  0.828996D+00 -0.600408D+00  0.335714D+00 -0.106864D+01
      2   0.421385D+00 -0.600408D+00  0.394068D+01 -0.225936D+01  0.829441D+00
      3  -0.138278D+01  0.335714D+00 -0.225936D+01  0.253171D+01 -0.107721D+01
               116           117           118           119           120 
      1   0.829441D+00 -0.107721D+01  0.493300D+01 -0.103973D+01  0.294030D+01
      2  -0.368798D+01  0.328955D+01 -0.103973D+01  0.915452D+00 -0.578802D+00
      3   0.328955D+01 -0.375767D+01  0.294030D+01 -0.578802D+00  0.305692D+01
               121           122           123           124           125 
      1  -0.948868D+00  0.852161D+00 -0.907826D+00  0.471133D+01 -0.127263D+01
      2   0.852161D+00 -0.291093D+00  0.660272D+00 -0.127263D+01  0.139533D+01
      3  -0.907826D+00  0.660272D+00 -0.192191D+01  0.420281D+01 -0.183028D+01
               126 
      1   0.420281D+01
      2  -0.183028D+01
      3   0.621049D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.111653D+01 -0.603208D+00 -0.446173D+00  0.256182D+01  0.378624D+01
      2   0.535120D+01 -0.115039D+01 -0.626127D+00  0.560125D+00 -0.185725D+01
      3   0.658628D+01  0.486135D+01 -0.122653D+00  0.101381D+02 -0.430952D+01
                 6             7             8             9            10 
      1  -0.456147D+01  0.262962D+01  0.183865D+01 -0.403659D+01 -0.403086D+00
      2  -0.186081D+01 -0.976693D+01 -0.164637D+01 -0.285210D+01 -0.149493D+02
      3  -0.989161D+00 -0.228191D+01 -0.855999D+00 -0.561446D+00 -0.137021D+02
                11            12            13            14            15 
      1   0.946798D+00  0.897381D+00 -0.143640D+00  0.134781D+01 -0.830259D+01
      2   0.127301D+01  0.305688D+01  0.251463D+00 -0.193768D+01  0.596009D+01
      3  -0.889955D+01 -0.418738D-01  0.123212D+02 -0.292914D+01  0.248568D+01
                16            17            18            19            20 
      1   0.990355D-01  0.759914D+01 -0.270234D+01 -0.161512D+01  0.710581D-01
      2  -0.145189D+02  0.605002D+01 -0.197612D+02  0.605359D+01  0.674201D+00
      3   0.577805D+00  0.553276D+01 -0.584930D+01  0.295858D+01 -0.677292D+01
                21            22            23            24            25 
      1  -0.359954D-01 -0.327191D+01  0.143065D+01  0.128963D+01 -0.587399D+00
      2   0.436277D+01  0.161059D+01 -0.104314D+00  0.141093D+01 -0.559600D+01
      3   0.823216D+00 -0.985502D-01 -0.188974D+01  0.267345D+01  0.884371D+00
                26            27            28            29            30 
      1   0.351287D+01 -0.329711D+00  0.172085D+01  0.387769D+00 -0.152811D+01
      2  -0.143644D+01 -0.336294D+01  0.991871D-01 -0.368697D-01  0.323068D+01
      3   0.186656D+01  0.774805D+00 -0.168144D+02 -0.520927D+01 -0.247037D+01
                31            32            33            34            35 
      1   0.179061D+01 -0.643012D+01 -0.166369D+01 -0.246034D+01  0.883926D+01
      2   0.501939D+00 -0.719613D+00 -0.452766D+00 -0.342484D+01  0.244516D+00
      3   0.149666D+01  0.163620D+01 -0.107269D+01 -0.365735D+01  0.131109D+01
                36            37            38            39            40 
      1  -0.586237D+01 -0.568194D+00  0.158348D+01  0.265938D+01  0.218946D+01
      2  -0.131657D+01 -0.980459D+01 -0.639112D+00 -0.457655D+01  0.390041D+01
      3   0.173567D+01 -0.876569D+01  0.270056D+01  0.714252D+00  0.646608D+01
                41            42            43            44            45 
      1  -0.604094D+01  0.535460D+01 -0.334703D-01  0.625835D+01  0.628154D+01
      2  -0.964126D+00 -0.420436D+01 -0.166869D+02 -0.154546D+01  0.563351D+01
      3   0.133687D+02 -0.845739D+00 -0.255040D+01 -0.253662D+01  0.636552D+00
                46            47            48            49            50 
      1   0.227378D+00  0.878293D+00 -0.390758D+01  0.340633D+00  0.291613D+01
      2   0.212835D+01  0.984290D+00  0.629726D+01 -0.471396D+01  0.241178D+01
      3  -0.310261D+00 -0.790762D+01 -0.154195D+01  0.452146D+01 -0.216546D+02
                51            52            53            54            55 
      1  -0.942916D+01 -0.142171D+00  0.179478D+01 -0.251555D+01 -0.214295D+01
      2   0.684890D+01  0.324679D+01  0.563884D+01  0.292659D+01  0.209445D+01
      3  -0.259673D+01  0.377990D+00 -0.163432D+01 -0.564986D+01 -0.541736D+01
                56            57            58            59            60 
      1  -0.457286D+01  0.222670D+01 -0.459503D+01 -0.226413D+01 -0.239760D+01
      2   0.300407D+01  0.778433D+01  0.102757D+01  0.758155D+00 -0.230069D+00
      3  -0.152944D+02 -0.226201D+00 -0.124308D+02 -0.632082D+01  0.282640D+01
                61            62            63            64            65 
      1   0.964666D+00  0.294188D+01 -0.171752D+01  0.200938D+00 -0.600007D+00
      2   0.504485D+01 -0.167430D+01 -0.748151D+01  0.125237D+01 -0.340089D+00
      3   0.139749D+01  0.213407D+01  0.217676D+01 -0.858267D-01  0.324956D+00
                66            67            68            69            70 
      1   0.106417D+00  0.365423D+00  0.848224D+00 -0.425587D+00  0.255299D+00
      2  -0.702103D-01 -0.976395D+00  0.930006D+00  0.225380D+00 -0.322189D+01
      3  -0.482485D+00  0.240075D+01 -0.169795D+00 -0.717626D+00  0.114629D+01
                71            72            73            74            75 
      1   0.331265D+01 -0.682720D+00  0.128417D+01 -0.995928D+00 -0.644864D+00
      2   0.602335D+00  0.220268D+01  0.185560D+01  0.313397D+00  0.829008D+00
      3  -0.510596D+00 -0.555034D+00  0.371760D+00 -0.251021D+01 -0.799675D+00
                76            77            78            79            80 
      1  -0.910610D+00  0.636324D+00  0.849519D+00 -0.129451D+01  0.250829D+01
      2  -0.108042D+01  0.933737D+00  0.108177D+01 -0.456459D+01  0.183065D+00
      3  -0.287517D+00 -0.135809D+00 -0.441248D+00 -0.225510D+01  0.778229D-01
                81            82            83            84            85 
      1   0.503983D+01 -0.106328D+01 -0.545242D+00 -0.769523D+00 -0.136925D+01
      2   0.450194D+01  0.499619D+00  0.670313D+00  0.138513D+01  0.157117D+01
      3   0.193595D+01  0.298987D+01 -0.142316D+01 -0.121069D-01  0.521532D+01
                86            87            88            89            90 
      1  -0.338099D+01 -0.212402D+01 -0.976578D+00 -0.235324D+00  0.159333D+00
      2   0.158140D+01 -0.314138D+00 -0.449998D+00 -0.277457D+00 -0.146786D+00
      3   0.516200D+01  0.126225D+00  0.132128D+01  0.730984D+00  0.123500D+01
                91            92            93            94            95 
      1   0.343695D+01  0.390224D+01  0.528867D-01  0.460118D+01  0.381361D+01
      2  -0.272649D+01 -0.221441D+01 -0.165866D+01 -0.929345D+00 -0.348973D+01
      3   0.893357D+01  0.923861D+01 -0.133900D+01  0.120718D+02  0.141859D+02
                96            97            98            99           100 
      1  -0.185595D+01  0.244814D+00  0.796743D+00 -0.117934D+01 -0.283860D+01
      2  -0.282802D+01 -0.176798D+01 -0.220893D+01 -0.806109D+00 -0.494460D+00
      3  -0.266796D+00 -0.104434D+01  0.396788D+00  0.959337D+00  0.222291D+02
               101           102           103           104           105 
      1  -0.516692D+00 -0.271444D+01 -0.344393D+00 -0.889049D+00 -0.126699D+01
      2   0.442466D+00  0.608006D+00 -0.470885D-02  0.444627D+00  0.125698D+01
      3  -0.257306D+01  0.314594D+01  0.260639D+01  0.188366D+01 -0.445309D+00
               106           107           108           109           110 
      1  -0.411173D+00 -0.363610D+00 -0.935073D+00  0.333075D+00 -0.102590D+01
      2  -0.175714D+01  0.122818D+01  0.315019D+00  0.957130D-02 -0.352611D+00
      3   0.627714D+01 -0.687529D+00 -0.375270D+00 -0.121474D+01  0.456423D+00
               111           112           113           114           115 
      1   0.315161D+01 -0.428860D+00  0.355335D+01 -0.566627D+01  0.166672D+01
      2   0.662659D+00  0.465004D+00  0.429493D+00 -0.714753D+00 -0.156911D+01
      3   0.224295D+00  0.288463D+01  0.550373D+00 -0.359533D+00 -0.245672D+01
               116           117           118           119           120 
      1  -0.442549D+01  0.766642D+01  0.311338D+00  0.109020D+01  0.952319D+00
      2  -0.767865D+00  0.132600D+01  0.812757D+01 -0.145814D+01  0.102351D+02
      3   0.137156D+00 -0.776965D+00  0.176149D+01 -0.472422D+01  0.959691D+00
               121           122           123           124           125 
      1  -0.282091D+00 -0.497230D+00 -0.132074D+01  0.525223D+00  0.335428D+01
      2  -0.218343D+01  0.158352D+01 -0.617914D+01  0.929545D+01 -0.487089D+01
      3  -0.156839D+01  0.110327D+01 -0.879757D+00  0.226345D+01 -0.596216D+01
               126 
      1   0.198300D+01
      2   0.193243D+02
      3   0.431380D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.528440D+02 -0.372458D+01  0.354057D+01 -0.789920D+01  0.144467D+02
      2   0.268467D+02  0.167481D+01 -0.243298D+01  0.210401D+01 -0.143244D+02
      3   0.259973D+02  0.204976D+01 -0.110759D+01  0.579519D+01 -0.122280D+00
      4   0.108519D+01 -0.106023D+02 -0.282010D+01  0.120532D+02  0.176197D+01
      5   0.654299D+01 -0.231748D+01 -0.784326D+01  0.227905D+01 -0.568722D-03
      6  -0.272514D+01  0.105593D+01 -0.462461D+00  0.118129D+01  0.372512D+00
                 6             7             8             9            10 
      1   0.560235D+01  0.612037D+01  0.455013D+01  0.876587D+01  0.842605D+02
      2  -0.423992D+00 -0.615841D+01 -0.126624D+01  0.262134D+01 -0.394285D+02
      3  -0.517836D+01  0.380386D-01 -0.328389D+01 -0.113872D+02 -0.448321D+02
      4  -0.952523D+00  0.580991D+00  0.315915D+01 -0.204105D+01  0.425542D+01
      5  -0.362036D+01  0.379880D+01 -0.187821D+00 -0.329707D+01 -0.266089D+02
      6   0.444874D+01 -0.103659D+01  0.257796D+01  0.610478D+00  0.433922D+01
                11            12            13            14            15 
      1   0.111804D+02 -0.239289D+02  0.197354D+02 -0.245684D+01 -0.108050D+01
      2  -0.851477D+01  0.125457D+02 -0.158332D+02  0.186060D+02  0.959499D+00
      3  -0.266567D+01  0.113831D+02 -0.390223D+01 -0.161491D+02  0.120999D+00
      4   0.253606D+02  0.533062D+01  0.290382D+02 -0.481616D+01 -0.476248D+01
      5   0.497831D+01  0.625905D+01  0.456832D+01 -0.409233D+01  0.120675D+02
      6  -0.152725D+00  0.151445D+01 -0.710534D+00  0.468668D+01  0.116994D+02
                16            17            18            19            20 
      1  -0.287147D+02 -0.569837D+00 -0.798769D+01  0.841946D+00 -0.185493D+01
      2   0.186843D+02 -0.147819D+01 -0.449082D+01  0.146031D+01 -0.757627D+00
      3   0.100304D+02  0.204803D+01  0.124785D+02 -0.230226D+01  0.261256D+01
      4   0.812533D+01 -0.839820D+01  0.101847D+02 -0.164004D+01  0.583697D+01
      5   0.124024D+02  0.108119D+02 -0.388945D+02  0.298855D+01  0.165480D+01
      6   0.109777D+01  0.143156D+02  0.898391D+01 -0.610893D+00 -0.237592D+01
                21            22            23            24            25 
      1   0.947124D+00  0.256637D+01  0.552225D+01  0.399899D+01 -0.597157D+01
      2  -0.162903D+01 -0.210009D+01 -0.633156D+01  0.243061D+01  0.156475D+01
      3   0.681902D+00 -0.466279D+00  0.809306D+00 -0.642960D+01  0.440682D+01
      4   0.255014D+01 -0.724445D+01  0.658918D+01  0.174657D+01  0.408858D+01
      5   0.388133D+01  0.146789D+01  0.155219D+01  0.185162D+01 -0.591257D+00
      6   0.112993D+00  0.250408D+01 -0.280320D+00 -0.832070D+01  0.965494D+00
                26            27            28            29            30 
      1   0.485072D+01  0.469422D+01  0.501474D+01  0.278033D+01 -0.237442D+01
      2   0.134980D+01  0.102172D+02 -0.527635D+01 -0.496641D+01  0.176704D+01
      3  -0.620052D+01 -0.149114D+02  0.261612D+00  0.218608D+01  0.607378D+00
      4  -0.421088D+01 -0.285976D+00 -0.760355D+01 -0.226153D+01 -0.737515D+00
      5  -0.134183D+01 -0.970794D+00 -0.199522D+01  0.365236D+00  0.519303D+01
      6   0.188911D+01 -0.292122D+01 -0.177014D+01 -0.268418D+00  0.455142D+01
                31            32            33            34            35 
      1  -0.892108D+00 -0.129700D+02 -0.678150D+01  0.803365D+00 -0.838495D+01
      2  -0.183872D+01  0.224474D+02  0.613204D+01  0.359273D+00  0.864547D+01
      3   0.273083D+01 -0.947743D+01  0.649466D+00 -0.116264D+01 -0.260512D+00
      4   0.256728D+01 -0.602477D+01 -0.363850D+01 -0.124132D+01 -0.277213D+01
      5   0.999347D+00 -0.223802D+01  0.353717D+00  0.280183D+01  0.113398D+01
      6  -0.545849D+01  0.994739D+01 -0.625851D-01  0.494717D+01 -0.755930D+01
                36            37            38            39            40 
      1   0.452469D+01 -0.334312D+01  0.965028D+01  0.558928D-01 -0.641657D+01
      2  -0.822377D+01 -0.117202D+01 -0.110870D+02 -0.442538D+01  0.583987D+00
      3   0.369908D+01  0.451514D+01  0.143673D+01  0.436949D+01  0.583258D+01
      4   0.323378D+01 -0.221032D+01 -0.174893D+02 -0.667872D+01 -0.256690D+02
      5  -0.308636D+01 -0.212269D+01 -0.804222D+01 -0.966958D+01 -0.136347D+02
      6   0.123505D+02 -0.109546D+01 -0.428167D+00 -0.309745D+01 -0.117067D+01
                41            42            43            44            45 
      1   0.196870D-01 -0.103919D+01  0.363503D+01 -0.601494D+01 -0.437569D+01
      2  -0.133441D+02  0.611603D+01 -0.403524D+01 -0.590590D+00 -0.199772D+01
      3   0.133244D+02 -0.507684D+01  0.400212D+00  0.660553D+01  0.637341D+01
      4  -0.274515D+02 -0.457074D+01 -0.146973D+02  0.164035D+01 -0.221333D+01
      5  -0.531197D+01 -0.799810D+01 -0.289698D+01 -0.155867D+01  0.509514D+01
      6  -0.493175D+01 -0.889311D+01 -0.160405D+01  0.326121D+01 -0.557789D+01
                46            47            48            49            50 
      1   0.224097D+02  0.947771D+01  0.319107D+01  0.124148D+02 -0.121238D+02
      2  -0.693403D+01  0.203806D+01 -0.227851D+01  0.135428D+01  0.345503D+02
      3  -0.154756D+02 -0.115158D+02 -0.912554D+00 -0.137691D+02 -0.224265D+02
      4   0.257291D+02  0.271286D+02  0.639049D+01  0.326731D+02  0.541205D+02
      5   0.909065D+01  0.686626D+01  0.124330D+02  0.686259D+01  0.102942D+02
      6   0.278195D+01  0.218624D+01  0.556573D+01  0.422650D+01  0.642092D+01
                51            52            53            54            55 
      1  -0.268736D+01  0.326832D+01 -0.136223D+01 -0.151451D+01  0.423347D+02
      2   0.820035D+00 -0.156533D+01  0.133740D+01 -0.524597D+00 -0.255259D+02
      3   0.186733D+01 -0.170299D+01  0.248381D-01  0.203911D+01 -0.168089D+02
      4   0.872037D+01  0.647960D+01  0.604758D+01  0.142996D+02 -0.174135D+02
      5   0.150025D+02  0.144632D+02  0.143052D+02  0.107205D+02 -0.137097D+02
      6   0.144818D+02  0.661751D+01  0.123556D+02  0.664576D+01  0.237004D+01
                56            57            58            59            60 
      1  -0.562127D+01 -0.695543D+01  0.613207D+01  0.117240D+02 -0.261996D+01
      2   0.813970D+00  0.879108D+01 -0.707321D+01 -0.374714D+01  0.166030D+00
      3   0.480730D+01 -0.183565D+01  0.941143D+00 -0.797690D+01  0.245393D+01
      4   0.196933D+02  0.511638D+01  0.197130D+02 -0.572507D+01 -0.242399D+01
      5   0.441115D+01  0.168956D+02  0.961703D+00 -0.409593D+01 -0.146251D+01
      6  -0.134985D+01 -0.360101D+01 -0.714632D+00  0.141767D+01  0.686210D+01
                61            62            63            64            65 
      1  -0.388476D+01  0.237214D+01  0.339283D+01  0.156410D+00  0.138709D+00
      2   0.476633D+01 -0.189597D+01 -0.110695D+02 -0.351583D+01  0.675569D+00
      3  -0.881573D+00 -0.476172D+00  0.767665D+01  0.335942D+01 -0.814278D+00
      4   0.690921D+01 -0.505104D+01 -0.652443D+01 -0.512067D+00  0.774796D+00
      5   0.162871D+02 -0.599155D+01 -0.169218D+02 -0.836399D+00  0.969567D+00
      6  -0.206241D+01  0.491072D+01  0.325496D+01  0.112235D+01 -0.344267D+00
                66            67            68            69            70 
      1   0.115184D+01  0.134898D+00 -0.457524D+01 -0.359898D+01  0.152316D+01
      2   0.802846D+00  0.858026D+00  0.222367D+00 -0.184673D+01  0.765471D+00
      3  -0.195469D+01 -0.992924D+00  0.435287D+01  0.544571D+01 -0.228863D+01
      4   0.474221D+00  0.270095D+01 -0.863869D+00 -0.796158D-01  0.940494D+00
      5   0.428673D+01  0.115751D+01 -0.196029D+00 -0.508606D+00  0.424038D+01
      6  -0.181063D+00 -0.752131D+00  0.373525D+01  0.752312D+01 -0.799615D+00
                71            72            73            74            75 
      1  -0.244158D+01 -0.183021D+02  0.425913D+01 -0.641184D-01  0.257773D+01
      2  -0.402681D+01 -0.138230D+02 -0.476880D+01  0.205878D+00  0.973187D+00
      3   0.646838D+01  0.321250D+02  0.509669D+00 -0.141760D+00 -0.355092D+01
      4   0.966661D+00  0.165994D+00 -0.755343D+00  0.254970D+01 -0.907753D-01
      5   0.402986D+00  0.666528D+00 -0.209648D+01  0.736496D+00  0.592344D+01
      6   0.506434D+01  0.543128D+01  0.633041D+00 -0.571603D+00  0.381703D+00
                76            77            78            79            80 
      1   0.433377D+01 -0.402991D+01 -0.254527D+01  0.897825D+01  0.890236D+00
      2  -0.130125D+01  0.141676D+01 -0.160761D+01 -0.805576D+00 -0.130983D+01
      3  -0.303252D+01  0.261315D+01  0.415288D+01 -0.817267D+01  0.419592D+00
      4  -0.403623D+00  0.685729D+00  0.952320D+00 -0.188842D+01  0.251382D+00
      5   0.503375D+00  0.460584D+00  0.131448D+01  0.226743D+01 -0.790762D+00
      6  -0.700501D+00  0.371294D+00  0.352534D+01  0.114934D+01  0.357747D+01
                81            82            83            84            85 
      1  -0.220701D+02  0.115176D+01 -0.229358D+01  0.302130D+00 -0.100666D+02
      2  -0.821562D+01  0.199861D+01  0.312397D+01 -0.187382D-01  0.925006D+01
      3   0.302858D+02 -0.315037D+01 -0.830392D+00 -0.283392D+00  0.816537D+00
      4   0.743427D+00  0.166017D+01  0.638694D+01  0.499596D+00  0.221001D+01
      5   0.455900D+01 -0.186745D+00 -0.185782D+00  0.220776D+01 -0.725763D+00
      6  -0.445195D+01  0.323064D+00 -0.965115D+00  0.390115D+00 -0.168402D+01
                86            87            88            89            90 
      1  -0.216528D+02  0.305253D+01 -0.263021D+01 -0.447030D+00 -0.432563D+01
      2   0.289290D+02 -0.206212D+01  0.233799D+01  0.108544D+01  0.231538D+01
      3  -0.727615D+01 -0.990418D+00  0.292223D+00 -0.638414D+00  0.201025D+01
      4  -0.424276D+01  0.521257D+00  0.722984D-02 -0.129241D+01 -0.311468D+00
      5  -0.279923D+00 -0.258523D+00  0.662314D+00 -0.682492D+00 -0.353871D+00
      6  -0.551252D+01  0.404990D+01  0.143123D+01  0.427777D+01 -0.789491D+00
                91            92            93            94            95 
      1  -0.131834D+02 -0.549731D+01  0.219310D+01 -0.142873D+02 -0.883325D+01
      2   0.105609D+02  0.223105D+01 -0.315015D+01  0.826315D+01  0.984426D+01
      3   0.262250D+01  0.326627D+01  0.957049D+00  0.602412D+01 -0.101101D+01
      4  -0.228926D+01 -0.242765D+01 -0.946454D+00  0.416124D+01 -0.148641D+02
      5   0.384308D+01  0.199228D+00 -0.373163D+01  0.478960D+01 -0.281193D+01
      6  -0.167048D+01 -0.651616D+00 -0.108090D+01 -0.284078D+01  0.423242D+01
                96            97            98            99           100 
      1   0.896692D+00  0.141871D+01 -0.244463D+01 -0.294967D+01  0.566945D+01
      2  -0.749334D+00 -0.111821D+01  0.182748D+01  0.916529D+00  0.845026D+00
      3  -0.147358D+00 -0.300495D+00  0.617146D+00  0.203315D+01 -0.651447D+01
      4  -0.467149D+01  0.525219D+00 -0.240361D+01 -0.259175D+01  0.113796D+02
      5  -0.581080D+01  0.187342D+01 -0.259859D+01 -0.235000D+01 -0.383054D+00
      6   0.335958D+01 -0.618656D+00  0.382411D+01  0.382906D+01  0.269240D+01
               101           102           103           104           105 
      1  -0.953472D+01  0.187632D+01 -0.390624D+01 -0.218328D+01 -0.101483D+00
      2   0.131399D+02  0.633328D-01  0.666934D+01  0.634162D+01  0.554108D+00
      3  -0.360516D+01 -0.193966D+01 -0.276310D+01 -0.415834D+01 -0.452625D+00
      4   0.815687D+01  0.180341D+01  0.838435D+01  0.773986D+01  0.108845D+01
      5  -0.375217D-01 -0.840614D-01 -0.773583D+00  0.398512D+00  0.170978D+01
      6  -0.832910D+00  0.419935D+01  0.147902D-01 -0.532466D-01  0.263755D+01
               106           107           108           109           110 
      1  -0.588010D-01 -0.189074D+01 -0.148415D+01 -0.115675D+01  0.213140D+01
      2   0.454350D+00  0.216593D+01  0.746121D+00  0.147891D+01 -0.212194D+01
      3  -0.395549D+00 -0.275192D+00  0.738028D+00 -0.322159D+00 -0.945902D-02
      4   0.341929D+01  0.127490D+01  0.162339D+01 -0.231103D+01  0.465651D+01
      5   0.166080D+01  0.129430D+01  0.205676D+00  0.145460D+01 -0.241944D+01
      6   0.601972D+00  0.344741D+01  0.141884D+01 -0.292091D+01  0.359125D+01
               111           112           113           114           115 
      1  -0.149217D+01  0.165749D+01 -0.138900D+02  0.852957D+01 -0.286094D+01
      2   0.765945D+00 -0.199961D+01  0.160800D+02 -0.890306D+01  0.146628D+01
      3   0.726227D+00  0.342120D+00 -0.219002D+01  0.373490D+00  0.139466D+01
      4  -0.332296D+01  0.432466D+01 -0.267063D+01  0.188629D+01 -0.347119D+01
      5   0.355156D+01 -0.110600D+01  0.140483D+01 -0.106739D+01  0.329383D+01
      6  -0.578548D+01  0.224053D+01 -0.153603D+02  0.147709D+02 -0.499039D+01
               116           117           118           119           120 
      1   0.132532D+02 -0.136064D+02  0.264030D+02 -0.549095D+01  0.175747D+02
      2  -0.112904D+02  0.723065D+01 -0.175561D+02  0.290586D+01 -0.111042D+02
      3  -0.196277D+01  0.637578D+01 -0.884691D+01  0.258509D+01 -0.647052D+01
      4   0.330383D+01 -0.408168D+01 -0.841635D+01  0.770128D+01 -0.523462D+01
      5  -0.229535D+01  0.322478D+01  0.230140D+02 -0.484490D+01  0.237476D+02
      6   0.189322D+02 -0.194949D+02 -0.346905D+01  0.110716D+01 -0.250738D+01
               121           122           123           124           125 
      1  -0.414556D+01  0.692551D+00 -0.318168D+01  0.190440D+02 -0.391627D+01
      2   0.234064D+01 -0.707395D-01  0.152610D+01 -0.160458D+02  0.389071D+01
      3   0.180491D+01 -0.621812D+00  0.165559D+01 -0.299820D+01  0.255638D-01
      4   0.697173D+01 -0.328030D+01  0.517877D+01 -0.977768D+01  0.748441D+01
      5  -0.734932D+01  0.491641D+01 -0.115733D+02  0.312173D+02 -0.115432D+02
      6   0.285924D+01 -0.271226D+01  0.696840D+01 -0.474071D+01  0.459073D+01
               126 
      1   0.132047D+02
      2  -0.177359D+02
      3   0.453112D+01
      4  -0.122012D+02
      5   0.403974D+02
      6  -0.695565D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:16:18 2021, MaxMem=  5368709120 cpu:            4557.4 elap:             571.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -89.06717 -19.31576 -19.26015 -14.47588 -10.43345
 Alpha  occ. eigenvalues --  -10.36923 -10.35550  -8.08534  -6.03470  -6.03116
 Alpha  occ. eigenvalues --   -6.02452  -1.21531  -1.13240  -1.03527  -0.91451
 Alpha  occ. eigenvalues --   -0.83336  -0.73843  -0.69881  -0.63957  -0.62822
 Alpha  occ. eigenvalues --   -0.59181  -0.54628  -0.54260  -0.52858  -0.51258
 Alpha  occ. eigenvalues --   -0.48128  -0.46593  -0.43389  -0.40872  -0.39515
 Alpha  occ. eigenvalues --   -0.35510  -0.34362
 Alpha virt. eigenvalues --    0.02486   0.03740   0.04620   0.04983   0.06169
 Alpha virt. eigenvalues --    0.07091   0.07112   0.07522   0.09202   0.09606
 Alpha virt. eigenvalues --    0.10793   0.11710   0.12936   0.13009   0.13982
 Alpha virt. eigenvalues --    0.14225   0.15068   0.15139   0.15388   0.16451
 Alpha virt. eigenvalues --    0.16944   0.18034   0.18377   0.18996   0.19333
 Alpha virt. eigenvalues --    0.20128   0.21064   0.21773   0.23728   0.24466
 Alpha virt. eigenvalues --    0.24662   0.25785   0.26483   0.27056   0.28728
 Alpha virt. eigenvalues --    0.29500   0.30116   0.30733   0.31795   0.32329
 Alpha virt. eigenvalues --    0.32666   0.33862   0.34268   0.34745   0.36228
 Alpha virt. eigenvalues --    0.37921   0.38975   0.39801   0.40306   0.41106
 Alpha virt. eigenvalues --    0.42540   0.43079   0.43795   0.45008   0.45519
 Alpha virt. eigenvalues --    0.46592   0.47554   0.48670   0.49771   0.50216
 Alpha virt. eigenvalues --    0.50556   0.51439   0.52336   0.53381   0.55342
 Alpha virt. eigenvalues --    0.56315   0.56979   0.58019   0.58542   0.59995
 Alpha virt. eigenvalues --    0.60979   0.61602   0.64173   0.64315   0.65378
 Alpha virt. eigenvalues --    0.66867   0.68129   0.68777   0.69123   0.70257
 Alpha virt. eigenvalues --    0.71735   0.73970   0.75649   0.76156   0.76588
 Alpha virt. eigenvalues --    0.77295   0.78787   0.79902   0.81202   0.82315
 Alpha virt. eigenvalues --    0.84162   0.86606   0.89628   0.90320   0.91165
 Alpha virt. eigenvalues --    0.92371   0.93200   0.96709   0.98393   0.98720
 Alpha virt. eigenvalues --    1.00815   1.01836   1.04398   1.05766   1.05932
 Alpha virt. eigenvalues --    1.06438   1.09349   1.10644   1.11067   1.12558
 Alpha virt. eigenvalues --    1.13756   1.15695   1.18071   1.18319   1.19453
 Alpha virt. eigenvalues --    1.22305   1.26014   1.26495   1.27538   1.30680
 Alpha virt. eigenvalues --    1.31697   1.33235   1.36834   1.39301   1.42695
 Alpha virt. eigenvalues --    1.46898   1.48683   1.51044   1.53836   1.54967
 Alpha virt. eigenvalues --    1.58084   1.61748   1.62664   1.65293   1.69747
 Alpha virt. eigenvalues --    1.70900   1.71969   1.73389   1.74440   1.74896
 Alpha virt. eigenvalues --    1.80069   1.83572   1.85006   1.85916   1.86466
 Alpha virt. eigenvalues --    1.87741   1.93211   1.95382   1.98388   1.99506
 Alpha virt. eigenvalues --    2.03633   2.05312   2.10093   2.10530   2.12877
 Alpha virt. eigenvalues --    2.15081   2.17869   2.19200   2.21459   2.22242
 Alpha virt. eigenvalues --    2.23388   2.25593   2.28471   2.32517   2.35099
 Alpha virt. eigenvalues --    2.35806   2.39416   2.44421   2.46339   2.46985
 Alpha virt. eigenvalues --    2.54741   2.56230   2.64965   2.67200   2.69556
 Alpha virt. eigenvalues --    2.74214   2.77393   2.84187   2.88525   2.91630
 Alpha virt. eigenvalues --    3.02641   3.06300   3.10051   3.26895   3.35785
 Alpha virt. eigenvalues --    3.44667   3.45279   3.46687   3.48714   3.51426
 Alpha virt. eigenvalues --    3.53282   3.54473   3.63672   3.79380   3.90708
 Alpha virt. eigenvalues --    4.04654
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.879613   0.209500   0.239352  -0.054434  -0.117747   0.025303
     2  S    0.209500  15.721016  -0.097766   0.016455  -0.015539   0.003942
     3  C    0.239352  -0.097766   6.332178   0.153299  -0.625311  -0.003922
     4  N   -0.054434   0.016455   0.153299   6.557362   0.019374  -0.014072
     5  C   -0.117747  -0.015539  -0.625311   0.019374   6.036697   0.259522
     6  O    0.025303   0.003942  -0.003922  -0.014072   0.259522   8.305427
     7  O    0.016955   0.002012   0.170955  -0.084825  -0.212827  -0.064008
     8  H    0.096038  -0.050553  -0.479874  -0.071481  -0.075206   0.025103
     9  H    0.269779  -0.106555  -0.061982  -0.024710  -0.088483   0.016855
    10  H    0.173710  -0.164946  -0.021105   0.018334   0.052489  -0.011233
    11  H    0.003493  -0.002450  -0.158389   0.074451  -0.020616   0.014802
    12  H   -0.037551   0.002193  -0.151740   0.300453   0.015918  -0.000217
    13  H   -0.028784   0.006005   0.165637   0.389772  -0.050780   0.003099
    14  H   -0.003377   0.261927   0.020401  -0.002050  -0.000638   0.000150
               7          8          9         10         11         12
     1  C    0.016955   0.096038   0.269779   0.173710   0.003493  -0.037551
     2  S    0.002012  -0.050553  -0.106555  -0.164946  -0.002450   0.002193
     3  C    0.170955  -0.479874  -0.061982  -0.021105  -0.158389  -0.151740
     4  N   -0.084825  -0.071481  -0.024710   0.018334   0.074451   0.300453
     5  C   -0.212827  -0.075206  -0.088483   0.052489  -0.020616   0.015918
     6  O   -0.064008   0.025103   0.016855  -0.011233   0.014802  -0.000217
     7  O    8.386932   0.005997   0.028322  -0.007317   0.223423   0.004133
     8  H    0.005997   1.905425   0.108658  -0.064703   0.015550   0.049013
     9  H    0.028322   0.108658   1.521518  -0.306169  -0.004939  -0.011972
    10  H   -0.007317  -0.064703  -0.306169   1.617458   0.006001   0.017435
    11  H    0.223423   0.015550  -0.004939   0.006001   0.646005   0.006260
    12  H    0.004133   0.049013  -0.011972   0.017435   0.006260   0.926714
    13  H   -0.004853  -0.124279  -0.001607  -0.008455  -0.017002  -0.156208
    14  H    0.000492  -0.005736  -0.072998  -0.020510   0.000102  -0.005560
              13         14
     1  C   -0.028784  -0.003377
     2  S    0.006005   0.261927
     3  C    0.165637   0.020401
     4  N    0.389772  -0.002050
     5  C   -0.050780  -0.000638
     6  O    0.003099   0.000150
     7  O   -0.004853   0.000492
     8  H   -0.124279  -0.005736
     9  H   -0.001607  -0.072998
    10  H   -0.008455  -0.020510
    11  H   -0.017002   0.000102
    12  H   -0.156208  -0.005560
    13  H    0.822340   0.001170
    14  H    0.001170   0.784611
 Mulliken charges:
               1
     1  C    0.328152
     2  S    0.214758
     3  C    0.518269
     4  N   -0.277929
     5  C    0.823149
     6  O   -0.560750
     7  O   -0.465390
     8  H   -0.333952
     9  H   -0.265717
    10  H   -0.280989
    11  H    0.213310
    12  H    0.041129
    13  H    0.003944
    14  H    0.042016
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.218554
     2  S    0.256774
     3  C    0.184318
     4  N   -0.232857
     5  C    0.823149
     6  O   -0.560750
     7  O   -0.252080
 Electronic spatial extent (au):  <R**2>=           1108.4534
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.1678    Y=              2.7898    Z=              0.3529  Tot=              4.2359
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -60.0256   YY=            -50.1139   ZZ=            -46.4503
   XY=             -5.6084   XZ=              4.1351   YZ=             -4.1692
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.8290   YY=              2.0827   ZZ=              5.7463
   XY=             -5.6084   XZ=              4.1351   YZ=             -4.1692
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             18.9859  YYY=             15.0499  ZZZ=              0.2277  XYY=              1.5106
  XXY=             10.2996  XXZ=              8.6754  XZZ=             -1.0369  YZZ=              3.2004
  YYZ=             -0.7317  XYZ=              0.0817
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1064.9024 YYYY=           -275.1879 ZZZZ=           -106.3141 XXXY=            -22.5269
 XXXZ=             39.0554 YYYX=            -12.5706 YYYZ=            -13.8804 ZZZX=              6.4529
 ZZZY=             -4.4042 XXYY=           -237.8856 XXZZ=           -184.2639 YYZZ=            -61.6108
 XXYZ=            -12.9249 YYXZ=             -2.3234 ZZXY=             -4.8188
 N-N= 3.761271553578D+02 E-N=-2.456167924252D+03  KE= 7.190141922988D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:16:18 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.26382215D+00 1.11108557D+00 1.24443413D-01
 Polarizability= 8.42091625D+01 1.05342687D+00 6.66948161D+01
                -4.60358257D-01 9.06411348D-01 5.62830567D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.5033    0.5027        0.4797    0.4790
 2     -0.5033   -0.5027       -1.1701   -1.1669       -8.0047   -8.0079
 3     -0.4797   -0.4790       14.2169   14.2151        1.1689    1.1669
 4      1.1701    1.1669       -0.0000    0.0000       -0.4808   -0.4790
 5     -6.2122   -6.2072        0.4808    0.4790        0.5028    0.5027
 6     -1.1689   -1.1669       -0.5028   -0.5027        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.5080   -1.5080        1.4371    1.4371
 2      3.5006    3.5006        0.0000    0.0000        1.4371    1.4371
 3      3.5006    3.5006       -1.5080   -1.5080        0.0000    0.0000
 4     -1.5080   -1.5080       -3.5006   -3.5006      -24.0236  -24.0236
 5     -1.4371   -1.4371       42.6453   42.6453        3.5006    3.5006
 6    -18.6217  -18.6217        1.4371    1.4371        1.5080    1.5080
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0172    0.0000       -2.3902   -2.0106       -2.7614   -1.9161
 2      1.7694    2.0106        4.5387    4.6674       31.8141   32.0315
 3      1.9709    1.9161      -56.7142  -56.8603       -4.5481   -4.6674
 4     -4.5295   -4.6674       -0.1428    0.0000        2.0814    1.9161
 5     24.9575   24.8289       -2.1078   -1.9161       -1.7886   -2.0106
 6      4.7023    4.6674        1.8636    2.0106        0.0700    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0721    0.0000        6.2659    6.3234       -7.0746   -6.8830
 2     -6.3938   -6.3234       12.3660   12.2823       18.1641   18.2059
 3      7.2923    6.8830        4.8904    4.4780      -13.1912  -12.2823
 4    -12.1710  -12.2823       -0.2235    0.0000        7.1896    6.8830
 5    -23.0501  -22.6839       -7.3604   -6.8830        6.3756    6.3234
 6     12.2977   12.2823       -6.2484   -6.3234       -0.1031    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -17.2398  -17.3618       22.4627   22.4287       24.1705   24.1649
 2    -35.9817  -36.1420       20.8863   20.9495       24.3418   24.1649
 3    -35.9240  -36.1420       22.3527   22.4287       29.0511   28.7287
 4      1.4719    1.4792       19.0013   18.7803       21.3469   21.0889
 5      4.7745    4.5638       26.9453   26.3750      -19.2016  -18.7803
 6    -47.7662  -47.4639       -4.8181   -4.5638       -1.4758   -1.4792
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.3624   -1.6798    0.0017    0.0030    0.0039    2.5991
 Low frequencies ---   63.7493  106.0932  129.6830
 Diagonal vibrational polarizability:
       24.6136092      39.9488410      17.0381992
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     63.7472               106.0931               129.6827
 Red. masses --      3.2528                 2.9918                 1.4071
 Frc consts  --      0.0078                 0.0198                 0.0139
 IR Inten    --      0.2202                11.5580                 7.1076
 RamAct Fr= 1--      1.0641                 0.2012                 0.4218
  Dep-P Fr= 1--      0.7308                 0.6481                 0.6616
  Dep-U Fr= 1--      0.8445                 0.7865                 0.7964
 Alpha2 Fr= 1--      0.0003                 0.0004                 0.0007
 Beta2  Fr= 1--      0.1498                 0.0264                 0.0560
 AlphaG Fr= 1--      0.0028                -0.0007                 0.0047
 Gamma2 Fr= 1--      0.4857                 0.2456                -0.0175
 Delta2 Fr= 1--      0.2180                 0.0998                 0.0881
 Raman1 Fr= 1--       4.257                  0.805                  1.687
 ROA1   Fr= 1--      53.608                 26.777                  1.135
 CID1   Fr= 1--      12.594                 33.273                  0.672
 Raman2 Fr= 1--       1.797                  0.316                  0.672
 ROA2   Fr= 1--       9.913                  5.097                 -1.126
 CID2   Fr= 1--       5.516                 16.105                 -1.676
 Raman3 Fr= 1--       3.595                  0.633                  1.344
 ROA3   Fr= 1--      53.608                 26.777                  1.135
 CID3   Fr= 1--      14.914                 42.306                  0.844
 RC180  Fr= 1--       0.689                  0.573                  0.593
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.01    -0.01  -0.17  -0.18     0.00  -0.06  -0.10
     2  16     0.01   0.01   0.07    -0.01   0.13   0.08     0.03  -0.02   0.00
     3   6    -0.01  -0.04  -0.08    -0.02  -0.06  -0.08    -0.02   0.02  -0.02
     4   7     0.00  -0.04  -0.15     0.07  -0.07  -0.03     0.01  -0.00   0.07
     5   6    -0.00  -0.00  -0.02    -0.02  -0.00   0.01    -0.01   0.01   0.01
     6   8    -0.12   0.07  -0.14    -0.08  -0.00   0.09     0.01  -0.02   0.07
     7   8     0.14  -0.07   0.22     0.06   0.06   0.01    -0.04   0.03  -0.05
     8   1    -0.02  -0.12  -0.06    -0.10  -0.01  -0.11    -0.06   0.08  -0.04
     9   1    -0.06   0.07  -0.03    -0.12  -0.43  -0.12     0.00  -0.16  -0.07
    10   1     0.01   0.01   0.04     0.10  -0.16  -0.45     0.01  -0.05  -0.19
    11   1     0.16  -0.09   0.21     0.11   0.04  -0.06    -0.02   0.02  -0.03
    12   1     0.07  -0.02  -0.39     0.04  -0.13   0.11     0.04  -0.06   0.02
    13   1    -0.21  -0.07  -0.12     0.19  -0.03  -0.03    -0.01   0.05   0.10
    14   1    -0.13   0.63   0.31    -0.04  -0.55  -0.11    -0.14   0.86   0.34
                      4                      5                      6
                      A                      A                      A
 Frequencies --    176.1380               250.6238               324.8196
 Red. masses --      5.0203                 6.9625                 1.1121
 Frc consts  --      0.0918                 0.2577                 0.0691
 IR Inten    --     11.6287                 0.2546                24.8188
 RamAct Fr= 1--      0.6397                 2.0597                 0.4242
  Dep-P Fr= 1--      0.7173                 0.1660                 0.7438
  Dep-U Fr= 1--      0.8354                 0.2848                 0.8531
 Alpha2 Fr= 1--      0.0004                 0.0306                 0.0000
 Beta2  Fr= 1--      0.0891                 0.0978                 0.0603
 AlphaG Fr= 1--      0.0008                -0.0070                 0.0026
 Gamma2 Fr= 1--     -0.5049                 0.2006                -0.0857
 Delta2 Fr= 1--     -0.2034                 0.0153                 0.1842
 Raman1 Fr= 1--       2.559                  8.239                  1.697
 ROA1   Fr= 1--     -54.984                 19.751                 -2.333
 CID1   Fr= 1--     -21.489                  2.397                 -1.375
 Raman2 Fr= 1--       1.069                  1.173                  0.724
 ROA2   Fr= 1--     -10.491                  4.692                 -3.531
 CID2   Fr= 1--      -9.817                  4.000                 -4.878
 Raman3 Fr= 1--       2.137                  2.346                  1.448
 ROA3   Fr= 1--     -54.984                 19.751                 -2.333
 CID3   Fr= 1--     -25.725                  8.418                 -1.611
 RC180  Fr= 1--       0.671                 -0.430                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.07  -0.19     0.14   0.08  -0.11     0.00   0.02   0.01
     2  16    -0.01  -0.12   0.09     0.32  -0.05   0.05     0.01  -0.00  -0.01
     3   6    -0.05   0.19  -0.17    -0.06  -0.00   0.02    -0.01   0.00  -0.01
     4   7    -0.10   0.18  -0.09    -0.24   0.03  -0.02    -0.02   0.02  -0.03
     5   6     0.05   0.03  -0.01    -0.12  -0.02   0.05    -0.02  -0.02  -0.00
     6   8     0.22  -0.06   0.11    -0.23   0.03  -0.01    -0.04  -0.01  -0.01
     7   8     0.04  -0.09   0.11    -0.14   0.02  -0.01     0.03  -0.02   0.03
     8   1    -0.09   0.25  -0.19    -0.16   0.03  -0.01     0.00   0.02  -0.00
     9   1    -0.20  -0.02  -0.18     0.19   0.02  -0.09     0.01   0.06  -0.00
    10   1    -0.22   0.10  -0.31     0.17   0.07  -0.12    -0.00   0.02   0.06
    11   1    -0.08   0.00   0.01    -0.12  -0.00   0.02    -0.02   0.04  -0.19
    12   1    -0.14   0.20   0.02    -0.27   0.20  -0.11    -0.20  -0.06   0.64
    13   1    -0.04   0.22  -0.09    -0.42  -0.03  -0.01     0.65   0.01  -0.21
    14   1    -0.24  -0.44   0.11     0.08  -0.50   0.03    -0.01   0.14   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    340.4982               403.7004               544.9987
 Red. masses --      4.0520                 2.9707                 4.5885
 Frc consts  --      0.2768                 0.2853                 0.8030
 IR Inten    --     14.1065                 2.8112                 3.5215
 RamAct Fr= 1--      1.0713                 0.7843                 2.0570
  Dep-P Fr= 1--      0.2444                 0.2049                 0.4120
  Dep-U Fr= 1--      0.3928                 0.3401                 0.5835
 Alpha2 Fr= 1--      0.0129                 0.0105                 0.0146
 Beta2  Fr= 1--      0.0701                 0.0445                 0.2001
 AlphaG Fr= 1--      0.0052                -0.0077                -0.0017
 Gamma2 Fr= 1--      0.1083                -0.2465                 0.5235
 Delta2 Fr= 1--      0.1166                -0.0193                 0.2943
 Raman1 Fr= 1--       4.285                  3.137                  8.228
 ROA1   Fr= 1--      14.127                -24.282                 59.671
 CID1   Fr= 1--       3.297                 -7.740                  7.252
 Raman2 Fr= 1--       0.842                  0.533                  2.401
 ROA2   Fr= 1--       1.666                 -5.761                 10.208
 CID2   Fr= 1--       1.979                -10.799                  4.252
 Raman3 Fr= 1--       1.683                  1.067                  4.801
 ROA3   Fr= 1--      14.127                -24.282                 59.671
 CID3   Fr= 1--       8.392                -22.758                 12.428
 RC180  Fr= 1--      -0.214                 -0.320                  0.167
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.06   0.02    -0.05   0.18  -0.03     0.06  -0.06   0.05
     2  16    -0.03  -0.01   0.00     0.03   0.01   0.00    -0.04  -0.01   0.00
     3   6     0.03  -0.04  -0.08    -0.04   0.02  -0.15     0.15   0.15   0.09
     4   7    -0.22  -0.03   0.16     0.21  -0.04   0.10     0.08   0.27  -0.05
     5   6     0.05  -0.06  -0.09    -0.06  -0.04  -0.07     0.03  -0.11  -0.07
     6   8    -0.08  -0.05   0.05    -0.11  -0.07   0.08    -0.25  -0.06   0.09
     7   8     0.29   0.10  -0.09    -0.03  -0.07  -0.01     0.05  -0.15  -0.07
     8   1     0.17   0.11  -0.10    -0.03   0.07  -0.17     0.33   0.19   0.11
     9   1    -0.07   0.19  -0.03    -0.09   0.53  -0.13     0.07  -0.43   0.15
    10   1    -0.03   0.04   0.15    -0.04   0.14   0.31    -0.02  -0.01  -0.33
    11   1     0.53  -0.02  -0.20    -0.02  -0.10   0.13    -0.07  -0.09  -0.02
    12   1    -0.26   0.12   0.15     0.32  -0.28  -0.04     0.12   0.33  -0.23
    13   1    -0.39   0.08   0.27     0.10   0.24   0.30    -0.02   0.08  -0.14
    14   1    -0.01  -0.00  -0.00    -0.09  -0.13   0.02     0.16   0.09  -0.07
                     10                     11                     12
                      A                      A                      A
 Frequencies --    650.8579               670.1143               790.3789
 Red. masses --      4.5565                 5.7286                 6.7141
 Frc consts  --      1.1372                 1.5156                 2.4712
 IR Inten    --      7.0144                10.1681                 3.8062
 RamAct Fr= 1--      1.0993                19.7575                 3.2340
  Dep-P Fr= 1--      0.6057                 0.1453                 0.6688
  Dep-U Fr= 1--      0.7544                 0.2538                 0.8016
 Alpha2 Fr= 1--      0.0029                 0.3091                 0.0047
 Beta2  Fr= 1--      0.1382                 0.8357                 0.4320
 AlphaG Fr= 1--      0.0024                 0.1272                -0.0035
 Gamma2 Fr= 1--     -0.4333                 0.4362                -1.8310
 Delta2 Fr= 1--      0.2480                 0.2748                 0.0415
 Raman1 Fr= 1--       4.397                 79.030                 12.936
 ROA1   Fr= 1--     -33.661                 50.665               -174.451
 CID1   Fr= 1--      -7.655                  0.641                -13.486
 Raman2 Fr= 1--       1.659                 10.028                  5.184
 ROA2   Fr= 1--     -12.383                  8.270                -44.277
 CID2   Fr= 1--      -7.466                  0.825                 -8.540
 Raman3 Fr= 1--       3.317                 20.057                 10.369
 ROA3   Fr= 1--     -33.661                 50.665               -174.451
 CID3   Fr= 1--     -10.147                  2.526                -16.824
 RC180  Fr= 1--       0.509                 -0.492                  0.603
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.11  -0.09     0.29   0.15  -0.22     0.40   0.02  -0.04
     2  16    -0.01  -0.01   0.01    -0.15  -0.04   0.04    -0.10  -0.03   0.04
     3   6    -0.17   0.04   0.18     0.15  -0.04  -0.04     0.07  -0.02  -0.04
     4   7     0.09   0.10  -0.02    -0.02  -0.08   0.00     0.03   0.04  -0.01
     5   6    -0.06  -0.20   0.24     0.22  -0.06   0.24    -0.32   0.04  -0.22
     6   8     0.01  -0.16  -0.17    -0.08   0.14  -0.01     0.07  -0.20  -0.03
     7   8     0.10   0.13  -0.05    -0.07  -0.07  -0.08    -0.08   0.18   0.18
     8   1    -0.44   0.02   0.15    -0.16   0.01  -0.10     0.23   0.07  -0.04
     9   1     0.10  -0.02  -0.03     0.22   0.36  -0.28     0.44   0.01  -0.03
    10   1    -0.03   0.12  -0.16     0.19   0.13   0.06     0.43   0.01   0.04
    11   1     0.42  -0.06  -0.17    -0.20  -0.01   0.12     0.23   0.01  -0.09
    12   1     0.22  -0.12  -0.23    -0.14   0.10   0.20    -0.02   0.17   0.03
    13   1     0.11  -0.00  -0.09    -0.03  -0.03   0.04    -0.09   0.08   0.05
    14   1    -0.27  -0.10   0.11    -0.36  -0.06   0.14     0.07   0.01  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    837.5774               849.7993               879.0396
 Red. masses --      1.8665                 1.5462                 1.1834
 Frc consts  --      0.7715                 0.6579                 0.5388
 IR Inten    --      9.9611                38.3068                67.6491
 RamAct Fr= 1--     13.8396                 1.8848                 1.6566
  Dep-P Fr= 1--      0.0923                 0.7303                 0.5382
  Dep-U Fr= 1--      0.1690                 0.8441                 0.6998
 Alpha2 Fr= 1--      0.2469                 0.0006                 0.0068
 Beta2  Fr= 1--      0.3898                 0.2652                 0.1932
 AlphaG Fr= 1--     -0.1205                 0.0074                 0.0449
 Gamma2 Fr= 1--     -0.4527                 0.5642                 0.0866
 Delta2 Fr= 1--      0.5479                -0.4526                 0.2132
 Raman1 Fr= 1--      55.358                  7.539                  6.627
 ROA1   Fr= 1--     -25.924                 39.681                 15.140
 CID1   Fr= 1--      -0.468                  5.263                  2.285
 Raman2 Fr= 1--       4.678                  3.182                  2.318
 ROA2   Fr= 1--     -15.248                 17.162                  0.374
 CID2   Fr= 1--      -3.260                  5.394                  0.161
 Raman3 Fr= 1--       9.355                  6.364                  4.637
 ROA3   Fr= 1--     -25.924                 39.681                 15.140
 CID3   Fr= 1--      -2.771                  6.235                  3.265
 RC180  Fr= 1--      -0.662                  0.688                  0.400
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.09   0.04     0.04  -0.13  -0.03     0.03  -0.05  -0.00
     2  16     0.00  -0.00   0.02    -0.00   0.01   0.01    -0.00   0.00   0.00
     3   6     0.05   0.01  -0.15    -0.04  -0.05  -0.02    -0.05  -0.01   0.01
     4   7     0.01   0.06  -0.02    -0.03   0.12   0.07    -0.03   0.05  -0.02
     5   6     0.01  -0.07   0.14     0.01   0.01  -0.01     0.00   0.02  -0.03
     6   8    -0.01  -0.03  -0.05     0.00   0.02  -0.00     0.01   0.01   0.02
     7   8    -0.05   0.06   0.01     0.02  -0.02   0.01     0.00  -0.00  -0.05
     8   1    -0.11   0.06  -0.18    -0.15   0.12  -0.08    -0.10  -0.00   0.00
     9   1    -0.19   0.12  -0.05     0.13   0.38  -0.16     0.12   0.10  -0.03
    10   1    -0.07  -0.10   0.19    -0.01  -0.18   0.48    -0.00  -0.07   0.18
    11   1     0.11  -0.05   0.08    -0.21   0.17  -0.35     0.34  -0.33   0.80
    12   1    -0.08   0.15   0.17     0.17  -0.10  -0.36    -0.01  -0.07   0.05
    13   1    -0.11   0.27   0.15     0.17  -0.17  -0.19     0.18   0.00  -0.10
    14   1     0.69   0.19  -0.26    -0.05  -0.05   0.02    -0.07  -0.02   0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    898.6714               960.1106              1003.2804
 Red. masses --      1.4791                 1.7972                 1.7796
 Frc consts  --      0.7038                 0.9761                 1.0554
 IR Inten    --     23.2580                94.1396                25.4276
 RamAct Fr= 1--      5.7877                 2.2181                 3.4809
  Dep-P Fr= 1--      0.4120                 0.4629                 0.4634
  Dep-U Fr= 1--      0.5836                 0.6328                 0.6333
 Alpha2 Fr= 1--      0.0411                 0.0129                 0.0202
 Beta2  Fr= 1--      0.5629                 0.2339                 0.3674
 AlphaG Fr= 1--     -0.0357                -0.0249                 0.0076
 Gamma2 Fr= 1--      1.0320                -0.5547                 0.0415
 Delta2 Fr= 1--     -0.4370                -0.1267                -0.2160
 Raman1 Fr= 1--      23.151                  8.872                 13.924
 ROA1   Fr= 1--      85.089                -57.302                 -2.925
 CID1   Fr= 1--       3.675                 -6.459                 -0.210
 Raman2 Fr= 1--       6.755                  2.807                  4.409
 ROA2   Fr= 1--      28.264                -12.298                  2.725
 CID2   Fr= 1--       4.184                 -4.381                  0.618
 Raman3 Fr= 1--      13.510                  5.615                  8.818
 ROA3   Fr= 1--      85.089                -57.302                 -2.925
 CID3   Fr= 1--       6.298                -10.206                 -0.332
 RC180  Fr= 1--       0.167                  0.266                  0.267
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.08   0.02    -0.08   0.06  -0.03    -0.04  -0.00  -0.14
     2  16    -0.02  -0.02   0.03     0.01   0.00  -0.01    -0.01   0.00   0.03
     3   6    -0.12   0.01  -0.02     0.16  -0.03  -0.03     0.03   0.08   0.14
     4   7    -0.04  -0.01   0.03    -0.06   0.01   0.08     0.03  -0.09  -0.02
     5   6     0.02   0.03  -0.02     0.01  -0.05   0.02    -0.04   0.03  -0.05
     6   8     0.01   0.03   0.01    -0.01  -0.04  -0.02    -0.00  -0.01   0.01
     7   8     0.03  -0.03  -0.03    -0.06   0.07   0.04     0.02  -0.02  -0.01
     8   1    -0.15   0.00  -0.03     0.34   0.11  -0.04    -0.08   0.21   0.09
     9   1    -0.08  -0.21   0.07    -0.25  -0.02  -0.04     0.14   0.32  -0.20
    10   1     0.19   0.09  -0.25    -0.04   0.07  -0.15    -0.40   0.03   0.14
    11   1    -0.06   0.02   0.00     0.06  -0.04   0.24     0.04  -0.03  -0.00
    12   1     0.16  -0.41  -0.24     0.13  -0.14  -0.34    -0.09   0.22   0.06
    13   1     0.23  -0.06  -0.08     0.35  -0.48  -0.37    -0.10  -0.34  -0.12
    14   1     0.62   0.12  -0.25     0.01  -0.00  -0.01     0.53   0.13  -0.20
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1102.9822              1154.7053              1210.1755
 Red. masses --      1.9903                 1.3200                 2.8385
 Frc consts  --      1.4266                 1.0370                 2.4493
 IR Inten    --     14.9703                 4.2058                22.1170
 RamAct Fr= 1--      2.2278                 2.1104                 6.7974
  Dep-P Fr= 1--      0.6918                 0.4241                 0.6034
  Dep-U Fr= 1--      0.8178                 0.5956                 0.7526
 Alpha2 Fr= 1--      0.0023                 0.0143                 0.0184
 Beta2  Fr= 1--      0.3037                 0.2095                 0.8527
 AlphaG Fr= 1--      0.0166                 0.0109                -0.0343
 Gamma2 Fr= 1--      0.5664                -0.0377                 0.3342
 Delta2 Fr= 1--      0.7943                -0.1876                 0.1438
 Raman1 Fr= 1--       8.911                  8.442                 27.189
 ROA1   Fr= 1--      79.789                 -9.622                 36.686
 CID1   Fr= 1--       8.954                 -1.140                  1.349
 Raman2 Fr= 1--       3.644                  2.514                 10.232
 ROA2   Fr= 1--       7.238                  0.596                  6.871
 CID2   Fr= 1--       1.986                  0.237                  0.671
 Raman3 Fr= 1--       7.288                  5.028                 20.464
 ROA3   Fr= 1--      79.789                 -9.622                 36.686
 CID3   Fr= 1--      10.948                 -1.914                  1.793
 RC180  Fr= 1--       0.636                  0.191                  0.505
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.07   0.06     0.03  -0.03   0.07    -0.02   0.00  -0.05
     2  16     0.00   0.01   0.00     0.00  -0.00  -0.01     0.00  -0.01   0.00
     3   6    -0.02   0.21  -0.05    -0.02   0.12  -0.01    -0.08  -0.03   0.11
     4   7    -0.06  -0.11  -0.03     0.02  -0.07  -0.01     0.01   0.02  -0.03
     5   6     0.07  -0.05   0.01    -0.01  -0.00   0.01     0.25  -0.09  -0.16
     6   8    -0.03  -0.03  -0.02    -0.01  -0.01  -0.00    -0.05  -0.08  -0.01
     7   8    -0.02   0.05   0.02     0.01  -0.00  -0.01    -0.03   0.13   0.07
     8   1     0.24   0.20  -0.01    -0.28   0.54  -0.17     0.01  -0.02   0.12
     9   1     0.52  -0.02   0.11    -0.41  -0.01   0.01    -0.30   0.12  -0.12
    10   1    -0.46   0.00   0.05     0.44  -0.09   0.09     0.32  -0.06   0.10
    11   1    -0.09   0.08   0.02     0.03  -0.02   0.02    -0.51   0.35   0.35
    12   1     0.08  -0.48  -0.13    -0.06   0.19   0.00    -0.05  -0.03   0.16
    13   1     0.10   0.10   0.06    -0.05  -0.33  -0.14    -0.10   0.16   0.10
    14   1    -0.14  -0.06   0.05    -0.16  -0.04   0.06     0.10   0.03  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1271.3920              1295.8678              1337.0727
 Red. masses --      1.2199                 1.2816                 1.5192
 Frc consts  --      1.1618                 1.2680                 1.6002
 IR Inten    --     18.6911                 5.1753                 5.2111
 RamAct Fr= 1--      1.4792                 4.8356                 3.8008
  Dep-P Fr= 1--      0.3516                 0.3340                 0.3336
  Dep-U Fr= 1--      0.5202                 0.5008                 0.5003
 Alpha2 Fr= 1--      0.0129                 0.0447                 0.0352
 Beta2  Fr= 1--      0.1283                 0.4036                 0.3169
 AlphaG Fr= 1--     -0.0110                 0.0952                 0.0187
 Gamma2 Fr= 1--      0.1281                -2.4239                -1.3949
 Delta2 Fr= 1--      0.0230                 0.2035                -0.4066
 Raman1 Fr= 1--       5.917                 19.342                 15.203
 ROA1   Fr= 1--      13.032               -226.184               -146.925
 CID1   Fr= 1--       2.203                -11.694                 -9.664
 Raman2 Fr= 1--       1.539                  4.843                  3.803
 ROA2   Fr= 1--       2.890                -59.802                -30.226
 CID2   Fr= 1--       1.878                -12.349                 -7.947
 Raman3 Fr= 1--       3.078                  9.686                  7.607
 ROA3   Fr= 1--      13.032               -226.184               -146.925
 CID3   Fr= 1--       4.234                -23.353                -19.315
 RC180  Fr= 1--       0.040                  0.002                  0.001
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.01  -0.04    -0.01   0.03   0.05     0.09   0.01   0.01
     2  16    -0.01  -0.01   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     3   6    -0.06   0.02  -0.03    -0.03  -0.03  -0.09    -0.16  -0.09  -0.03
     4   7     0.02  -0.00   0.00     0.04   0.01   0.06     0.05   0.01   0.01
     5   6    -0.00  -0.01   0.04     0.05  -0.01  -0.03     0.02  -0.01   0.03
     6   8     0.01   0.02  -0.00    -0.01  -0.02  -0.00     0.01   0.02  -0.00
     7   8     0.00  -0.00  -0.01    -0.00   0.02   0.01    -0.00  -0.00  -0.01
     8   1     0.52   0.09   0.05    -0.44  -0.14  -0.14     0.63   0.35  -0.01
     9   1     0.51  -0.01   0.04     0.48  -0.18   0.17    -0.26  -0.05  -0.02
    10   1     0.61  -0.11   0.11    -0.21   0.07  -0.11    -0.49   0.09  -0.04
    11   1     0.00  -0.01   0.01    -0.15   0.09   0.11    -0.02   0.01   0.04
    12   1    -0.03   0.12   0.04    -0.08   0.43   0.05    -0.05   0.24   0.08
    13   1    -0.04  -0.11  -0.04    -0.01  -0.37  -0.16    -0.08  -0.18  -0.07
    14   1     0.11   0.02  -0.04     0.00   0.01   0.00    -0.02   0.01   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1375.7338              1414.5585              1482.8228
 Red. masses --      1.3694                 1.5513                 1.0899
 Frc consts  --      1.5270                 1.8289                 1.4119
 IR Inten    --     31.2046               403.9219                 6.6430
 RamAct Fr= 1--      1.5052                 4.2906                 5.4149
  Dep-P Fr= 1--      0.6692                 0.1677                 0.6164
  Dep-U Fr= 1--      0.8018                 0.2872                 0.7627
 Alpha2 Fr= 1--      0.0022                 0.0634                 0.0133
 Beta2  Fr= 1--      0.2012                 0.2054                 0.6883
 AlphaG Fr= 1--     -0.0245                 0.0103                -0.0186
 Gamma2 Fr= 1--      0.1550                -0.2437                 0.5640
 Delta2 Fr= 1--     -0.4486                -0.2085                -0.3559
 Raman1 Fr= 1--       6.021                 17.162                 21.660
 ROA1   Fr= 1--       0.521                -30.070                 42.758
 CID1   Fr= 1--       0.086                 -1.752                  1.974
 Raman2 Fr= 1--       2.414                  2.465                  8.260
 ROA2   Fr= 1--       7.308                 -4.182                 16.385
 CID2   Fr= 1--       3.028                 -1.697                  1.984
 Raman3 Fr= 1--       4.828                  4.929                 16.520
 ROA3   Fr= 1--       0.521                -30.070                 42.758
 CID3   Fr= 1--       0.108                 -6.100                  2.588
 RC180  Fr= 1--       0.604                 -0.426                  0.525
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.04   0.01     0.01  -0.00  -0.01     0.00   0.05  -0.07
     2  16    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.04  -0.14   0.04    -0.05   0.03   0.00     0.01   0.01  -0.00
     4   7    -0.01   0.01  -0.05     0.01   0.01   0.01    -0.00  -0.00   0.00
     5   6     0.03  -0.01  -0.03     0.12  -0.05  -0.07    -0.00   0.00   0.00
     6   8     0.00   0.02   0.01    -0.01   0.05   0.02     0.00  -0.00  -0.00
     7   8    -0.03   0.00   0.02    -0.11   0.01   0.05     0.00  -0.00  -0.00
     8   1    -0.20   0.79  -0.24    -0.03  -0.19   0.06    -0.01  -0.04   0.00
     9   1     0.31  -0.12   0.10    -0.03   0.00  -0.01    -0.10  -0.67   0.14
    10   1    -0.04   0.04  -0.05     0.02  -0.01   0.03    -0.09  -0.03   0.71
    11   1     0.12  -0.07  -0.09     0.69  -0.43  -0.49    -0.02   0.01   0.00
    12   1     0.03  -0.17  -0.00     0.01   0.03   0.00     0.01  -0.03  -0.01
    13   1    -0.02   0.23   0.10    -0.02  -0.12  -0.06    -0.01  -0.00   0.00
    14   1     0.02   0.01  -0.01     0.01  -0.00  -0.01     0.01  -0.00  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1664.5146              1841.6237              2684.8470
 Red. masses --      1.0873                 9.6630                 1.0387
 Frc consts  --      1.7749                19.3092                 4.4116
 IR Inten    --     38.7097               332.0430                 0.5865
 RamAct Fr= 1--      4.4281                13.5815               159.1535
  Dep-P Fr= 1--      0.7301                 0.3451                 0.2284
  Dep-U Fr= 1--      0.8440                 0.5131                 0.3719
 Alpha2 Fr= 1--      0.0015                 0.1211                 2.0024
 Beta2  Fr= 1--      0.6229                 1.1615                 9.8636
 AlphaG Fr= 1--     -0.0107                 0.0017                -0.1976
 Gamma2 Fr= 1--     -0.1489                -0.0157                -0.9373
 Delta2 Fr= 1--     -0.2835                 0.3879                -1.0883
 Raman1 Fr= 1--      17.712                 54.326                636.614
 ROA1   Fr= 1--     -23.365                 10.901               -124.806
 CID1   Fr= 1--      -1.319                  0.201                 -0.196
 Raman2 Fr= 1--       7.475                 13.937                118.364
 ROA2   Fr= 1--      -1.305                 -3.481                -13.789
 CID2   Fr= 1--      -0.175                 -0.250                 -0.116
 Raman3 Fr= 1--      14.949                 27.875                236.727
 ROA3   Fr= 1--     -23.365                 10.901               -124.806
 CID3   Fr= 1--      -1.563                  0.391                 -0.527
 RC180  Fr= 1--       0.688                  0.026                 -0.256
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.01   0.01  -0.01     0.00   0.00   0.00
     2  16     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.03
     3   6    -0.02   0.00   0.01    -0.02  -0.03  -0.00    -0.00  -0.00   0.00
     4   7    -0.02  -0.07   0.01    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
     5   6     0.01  -0.01  -0.00     0.26   0.65   0.17     0.00   0.00   0.00
     6   8    -0.00   0.00   0.00    -0.16  -0.40  -0.10    -0.00  -0.00  -0.00
     7   8    -0.00   0.00   0.00    -0.05  -0.05  -0.00    -0.00  -0.00   0.00
     8   1     0.02   0.03   0.02     0.12   0.09   0.02     0.00  -0.00  -0.00
     9   1    -0.01  -0.01  -0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.01
    10   1     0.01  -0.00   0.02     0.05   0.01   0.02     0.00   0.00  -0.00
    11   1     0.03  -0.02  -0.00     0.40  -0.18  -0.25     0.00   0.00  -0.00
    12   1    -0.05   0.57  -0.44     0.01  -0.01  -0.03     0.00   0.00  -0.00
    13   1     0.53   0.42   0.13     0.00   0.02   0.01     0.00   0.00  -0.00
    14   1     0.00   0.00  -0.00     0.02   0.00  -0.01     0.42  -0.25   0.87
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3032.7371              3071.9768              3139.3509
 Red. masses --      1.0838                 1.0610                 1.1050
 Frc consts  --      5.8732                 5.8994                 6.4163
 IR Inten    --     10.9753                 9.2632                 0.9793
 RamAct Fr= 1--     93.9771                60.7845                40.3352
  Dep-P Fr= 1--      0.1711                 0.0446                 0.5380
  Dep-U Fr= 1--      0.2922                 0.0854                 0.6996
 Alpha2 Fr= 1--      1.3764                 1.2161                 0.1648
 Beta2  Fr= 1--      4.5773                 0.8655                 4.7029
 AlphaG Fr= 1--     -0.3757                 0.2780                -0.1294
 Gamma2 Fr= 1--      4.8003                -0.3669                 0.2861
 Delta2 Fr= 1--      3.8824                -1.2252                -0.0416
 Raman1 Fr= 1--     375.908                243.138                161.341
 ROA1   Fr= 1--     585.069                -74.432                 26.132
 CID1   Fr= 1--       1.556                 -0.306                  0.162
 Raman2 Fr= 1--      54.927                 10.386                 56.435
 ROA2   Fr= 1--      84.148                  0.995                  7.198
 CID2   Fr= 1--       1.532                  0.096                  0.128
 Raman3 Fr= 1--     109.855                 20.771                112.870
 ROA3   Fr= 1--     585.069                -74.432                 26.132
 CID3   Fr= 1--       5.326                 -3.583                  0.232
 RC180  Fr= 1--      -0.416                 -0.829                  0.399
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01     0.01   0.02  -0.06    -0.00  -0.08  -0.04
     2  16    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.01  -0.02  -0.08     0.00  -0.00  -0.01     0.00  -0.00  -0.01
     4   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1    -0.15   0.24   0.94    -0.02   0.04   0.15    -0.01   0.01   0.06
     9   1     0.02  -0.05  -0.16    -0.10   0.24   0.82    -0.06   0.11   0.44
    10   1    -0.00   0.02   0.00    -0.06  -0.46  -0.07     0.13   0.87   0.09
    11   1     0.00   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    12   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1    -0.00  -0.00   0.00     0.01  -0.00   0.01     0.00  -0.00   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3427.3898              3489.9952              3566.4034
 Red. masses --      1.0641                 1.0516                 1.0922
 Frc consts  --      7.3645                 7.5466                 8.1845
 IR Inten    --    251.3311                 5.3853                23.1422
 RamAct Fr= 1--     78.2430                96.8996                43.0688
  Dep-P Fr= 1--      0.0804                 0.0757                 0.6310
  Dep-U Fr= 1--      0.1489                 0.1408                 0.7738
 Alpha2 Fr= 1--      1.4367                 1.7997                 0.0931
 Beta2  Fr= 1--      1.9417                 2.2733                 5.5542
 AlphaG Fr= 1--      0.4355                 0.2847                -0.1292
 Gamma2 Fr= 1--     -1.4614                14.6753               -14.0224
 Delta2 Fr= 1--     -2.0238                 4.3881                -1.9185
 Raman1 Fr= 1--     312.972                387.598                172.275
 ROA1   Fr= 1--    -205.055               1549.247              -1407.548
 CID1   Fr= 1--      -0.655                  3.997                 -8.170
 Raman2 Fr= 1--      23.301                 27.279                 66.651
 ROA2   Fr= 1--     -18.882                317.102               -321.191
 CID2   Fr= 1--      -0.810                 11.624                 -4.819
 Raman3 Fr= 1--      46.602                 54.559                133.302
 ROA3   Fr= 1--    -205.055               1549.247              -1407.548
 CID3   Fr= 1--      -4.400                 28.396                -10.559
 RC180  Fr= 1--      -0.702                 -0.718                  0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     2  16    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   7    -0.01  -0.01   0.00    -0.04  -0.04   0.01    -0.05   0.02  -0.06
     5   6     0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.03  -0.05  -0.01     0.01   0.01   0.00     0.00   0.00   0.00
     8   1    -0.00  -0.01  -0.01     0.00   0.00  -0.01    -0.00   0.00   0.01
     9   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    10   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   1     0.51   0.84   0.12    -0.08  -0.13  -0.02    -0.01  -0.01  -0.00
    12   1     0.13   0.03   0.04     0.75   0.21   0.26     0.50   0.15   0.14
    13   1    -0.02   0.04  -0.06    -0.15   0.28  -0.45     0.19  -0.43   0.69
    14   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number 16 and mass  31.97207
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  7 and mass  14.00307
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   121.01975 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   410.161721526.674211784.56527
           X            0.99986  -0.01325   0.01021
           Y            0.01362   0.99923  -0.03687
           Z           -0.00971   0.03700   0.99927
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21117     0.05673     0.04854
 Rotational constants (GHZ):           4.40007     1.18214     1.01131
 Zero-point vibrational energy     283779.8 (Joules/Mol)
                                   67.82500 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     91.72   152.64   186.58   253.42   360.59
          (Kelvin)            467.34   489.90   580.83   784.13   936.44
                              964.15  1137.18  1205.09  1222.67  1264.74
                             1292.99  1381.39  1443.50  1586.95  1661.36
                             1741.17  1829.25  1864.46  1923.75  1979.37
                             2035.23  2133.45  2394.87  2649.69  3862.90
                             4363.43  4419.89  4516.83  4931.25  5021.32
                             5131.26
 
 Zero-point correction=                           0.108086 (Hartree/Particle)
 Thermal correction to Energy=                    0.116257
 Thermal correction to Enthalpy=                  0.117201
 Thermal correction to Gibbs Free Energy=         0.074641
 Sum of electronic and zero-point Energies=           -722.017131
 Sum of electronic and thermal Energies=              -722.008960
 Sum of electronic and thermal Enthalpies=            -722.008015
 Sum of electronic and thermal Free Energies=         -722.050576
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.952             28.254             89.576
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.287
 Rotational               0.889              2.981             28.504
 Vibrational             71.175             22.293             20.785
 Vibration     1          0.597              1.972              4.338
 Vibration     2          0.605              1.944              3.339
 Vibration     3          0.612              1.924              2.951
 Vibration     4          0.628              1.872              2.369
 Vibration     5          0.663              1.762              1.726
 Vibration     6          0.709              1.626              1.286
 Vibration     7          0.720              1.595              1.210
 Vibration     8          0.769              1.462              0.949
 Vibration     9          0.900              1.151              0.555
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.465157D-34        -34.332400        -79.053272
 Total V=0       0.241922D+16         15.383676         35.422223
 Vib (Bot)       0.234909D-47        -47.629101       -109.670058
 Vib (Bot)    1  0.323794D+01          0.510269          1.174939
 Vib (Bot)    2  0.193206D+01          0.286022          0.658589
 Vib (Bot)    3  0.157216D+01          0.196496          0.452448
 Vib (Bot)    4  0.114181D+01          0.057593          0.132612
 Vib (Bot)    5  0.778512D+00         -0.108734         -0.250370
 Vib (Bot)    6  0.577052D+00         -0.238785         -0.549823
 Vib (Bot)    7  0.545161D+00         -0.263475         -0.606674
 Vib (Bot)    8  0.440307D+00         -0.356245         -0.820284
 Vib (Bot)    9  0.289330D+00         -0.538606         -1.240186
 Vib (V=0)       0.122173D+03          2.086975          4.805438
 Vib (V=0)    1  0.377632D+01          0.577069          1.328750
 Vib (V=0)    2  0.249571D+01          0.397195          0.914575
 Vib (V=0)    3  0.214975D+01          0.332388          0.765351
 Vib (V=0)    4  0.174648D+01          0.242165          0.557605
 Vib (V=0)    5  0.142525D+01          0.153890          0.354345
 Vib (V=0)    6  0.126354D+01          0.101588          0.233915
 Vib (V=0)    7  0.123973D+01          0.093327          0.214894
 Vib (V=0)    8  0.116624D+01          0.066786          0.153781
 Vib (V=0)    9  0.107768D+01          0.032489          0.074809
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523285D+08          7.718738         17.773052
 Rotational      0.378410D+06          5.577963         12.843733
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3 3          3 3 3           2                             1     1      1 1 1111 1 1 1   1                                   
     5  4 4          1 0 0           6                             8     6      4 4 3322 2 1 1   09 88887   66   5    4 33  2 1 11   
     6  9 2          3 7 3           8                             4     6      8 1 7397 1 5 0   06 97539   75   4    0 42  5 7 306  
     6  0 7          9 2 3           5                             2     5      3 5 6761 0 5 3   30 99080   01   5    4 05  1 6 064  
 
     X  X X          X X X           X                             X     X      X X XXXX X X X   XX XXXXX   XX   X    X XX  X X XXX  
          X                                                        X     X        X X             X  XX                              
          X                                                        X              X               X  X                               
          X                                                        X              X               X                                  
          X                                                        X              X               X                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007511   -0.000000448    0.000001023
      2       16          -0.000003275    0.000001154    0.000001829
      3        6          -0.000003591    0.000005826   -0.000003199
      4        7          -0.000002386   -0.000007963    0.000005140
      5        6           0.000007336   -0.000007526   -0.000005413
      6        8          -0.000000364    0.000007272    0.000003100
      7        8          -0.000004865    0.000005814    0.000004709
      8        1           0.000001930   -0.000000444   -0.000001552
      9        1          -0.000000685    0.000000948   -0.000000085
     10        1          -0.000001963    0.000001121   -0.000001041
     11        1          -0.000001339   -0.000004955   -0.000001299
     12        1           0.000000908   -0.000000408   -0.000000227
     13        1           0.000000416   -0.000000855   -0.000001697
     14        1           0.000000366    0.000000463   -0.000001289
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007963 RMS     0.000003640
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.914806D+02  0.958062D+00 -0.100531D+01
      2   0.958062D+00  0.754649D+02  0.233371D+01
      3  -0.100531D+01  0.233371D+01  0.630504D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.268300D+01 -0.454480D+00 -0.154058D+01
      2   0.733752D+01 -0.641995D+01  0.280043D+02
      3   0.786397D+01 -0.157220D+02  0.492199D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.100008D+03 -0.170499D+02  0.147691D+02
      2  -0.586851D+02  0.131504D+02 -0.139596D+02
      3  -0.413233D+02  0.389954D+01 -0.809483D+00
      4  -0.191262D+02  0.142465D+02 -0.170536D+02
      5   0.172535D+02 -0.179346D+02  0.503886D+02
      6  -0.562816D+01 -0.691140D+01  0.330246D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.123918D+02 -0.210448D+01  0.200752D+01 -0.397778D+01  0.229463D+01
      2  -0.210448D+01 -0.299864D+00 -0.617731D+00  0.229463D+01  0.362816D+01
      3   0.200752D+01 -0.617731D+00 -0.596344D-01  0.195468D+00  0.105936D+00
                 6             7             8             9            10 
      1   0.195468D+00  0.363769D+01  0.593315D+00  0.127411D+01  0.139971D+02
      2   0.105936D+00  0.593315D+00  0.151041D+01 -0.905755D+00  0.254611D+01
      3  -0.203228D+01  0.127411D+01 -0.905755D+00 -0.442104D+01 -0.441798D+01
                11            12            13            14            15 
      1   0.254611D+01 -0.441798D+01  0.424714D+01  0.267282D+01  0.631861D+00
      2   0.205737D+01  0.694740D+00  0.267282D+01  0.100310D+00 -0.959455D+00
      3   0.694740D+00 -0.465709D+00  0.631861D+00 -0.959455D+00  0.217012D+01
                16            17            18            19            20 
      1  -0.696609D+01  0.832272D+00  0.940386D+00  0.332870D+01  0.174481D+01
      2   0.832272D+00 -0.183855D+01  0.191522D+01  0.174481D+01 -0.848774D+00
      3   0.940386D+00  0.191522D+01 -0.664667D+01 -0.132472D+01 -0.389125D-01
                21            22            23            24            25 
      1  -0.132472D+01  0.436245D+01 -0.366068D+00  0.592708D+00 -0.343818D+01
      2  -0.389125D-01 -0.366068D+00 -0.242875D+01  0.477896D+00 -0.217454D+00
      3  -0.984181D+00  0.592708D+00  0.477896D+00  0.186982D+01 -0.124401D+01
                26            27            28            29            30 
      1  -0.217454D+00 -0.124401D+01 -0.505701D+01  0.154597D+00 -0.239517D+00
      2  -0.218248D+00  0.257629D+01  0.154597D+00 -0.106413D+01  0.944993D-01
      3   0.257629D+01  0.512026D+01 -0.239517D+00  0.944993D-01  0.120963D+01
                31            32            33            34            35 
      1  -0.110888D+01 -0.466412D+00 -0.766749D+00 -0.389216D+00 -0.573543D+00
      2  -0.466412D+00  0.307568D+01  0.138098D+01 -0.573543D+00  0.286944D+01
      3  -0.766749D+00  0.138098D+01 -0.172625D+01  0.114335D+01 -0.194387D+01
                36            37            38            39            40 
      1   0.114335D+01 -0.287181D+01 -0.532495D+00  0.844733D+00  0.447266D-02
      2  -0.194387D+01 -0.532495D+00  0.124290D+01  0.127947D+01  0.301185D+01
      3   0.205732D+01  0.844733D+00  0.127947D+01 -0.149561D-01  0.138609D+01
                41            42            43            44            45 
      1   0.301185D+01  0.138609D+01  0.173586D+01  0.184362D+01  0.378646D+00
      2   0.492411D+01  0.885706D+00  0.184362D+01  0.123810D+01 -0.191428D+00
      3   0.885706D+00  0.173203D+00  0.378646D+00 -0.191428D+00 -0.522735D+00
                46            47            48            49            50 
      1  -0.402970D+01 -0.389744D+01 -0.142864D+01 -0.510758D+01 -0.400594D+01
      2  -0.389744D+01 -0.289082D+01 -0.944658D+00 -0.400594D+01 -0.112223D+02
      3  -0.142864D+01 -0.944658D+00 -0.845512D+00 -0.803665D+00 -0.182336D+01
                51            52            53            54            55 
      1  -0.803665D+00 -0.163216D+01 -0.855847D+00 -0.192378D+01 -0.661451D+01
      2  -0.182336D+01 -0.855847D+00 -0.141054D+01 -0.295405D+01  0.115553D+01
      3  -0.241981D+01 -0.192378D+01 -0.295405D+01 -0.222325D+01  0.221489D+01
                56            57            58            59            60 
      1   0.115553D+01  0.221489D+01 -0.163955D+01 -0.375291D+01  0.396494D+00
      2  -0.255652D+01 -0.428406D+00 -0.375291D+01 -0.581172D+00  0.509556D+00
      3  -0.428406D+00 -0.130386D+01  0.396494D+00  0.509556D+00  0.107779D+00
                61            62            63            64            65 
      1   0.158297D+01 -0.888617D+00 -0.177257D+01  0.601529D+00 -0.665138D+00
      2  -0.888617D+00  0.242281D-01  0.110649D+01 -0.665138D+00  0.342002D+00
      3  -0.177257D+01  0.110649D+01  0.254078D+01 -0.773899D+00  0.165762D-01
                66            67            68            69            70 
      1  -0.773899D+00 -0.118517D+01  0.314544D+00 -0.230330D-01 -0.136879D+01
      2   0.165762D-01  0.314544D+00 -0.827105D+00 -0.135230D+01  0.118373D+00
      3   0.831785D+00 -0.230330D-01 -0.135230D+01 -0.155100D+01  0.137961D+00
                71            72            73            74            75 
      1   0.118373D+00  0.137961D+00  0.386182D+00  0.294102D+00  0.668302D+00
      2  -0.195805D+01 -0.158483D+01  0.294102D+00 -0.109594D-02  0.120304D+00
      3  -0.158483D+01 -0.733356D+01  0.668302D+00  0.120304D+00 -0.798346D+00
                76            77            78            79            80 
      1   0.154975D+01 -0.536165D+00 -0.979508D-01  0.245388D+01 -0.905273D-01
      2  -0.536165D+00  0.651378D-01  0.785714D+00 -0.905273D-01  0.847829D+00
      3  -0.979508D-01  0.785714D+00  0.141824D+01 -0.139639D+01 -0.192118D+00
                81            82            83            84            85 
      1  -0.139639D+01 -0.470185D+00 -0.655257D+00 -0.207016D+00 -0.262155D+01
      2  -0.192118D+00 -0.655257D+00 -0.459176D+00  0.264727D+00 -0.165869D+01
      3   0.690207D+01 -0.207016D+00  0.264727D+00 -0.151023D+00  0.209920D+00
                86            87            88            89            90 
      1  -0.165869D+01  0.209920D+00 -0.139499D+01 -0.336107D-01 -0.424114D+00
      2  -0.668243D+01  0.654135D+00 -0.336107D-01 -0.479548D+00 -0.770392D+00
      3   0.654135D+00 -0.742694D+00 -0.424114D+00 -0.770392D+00  0.323103D+00
                91            92            93            94            95 
      1   0.238246D+01  0.179958D+01 -0.833186D+00  0.428255D+01  0.503321D+00
      2   0.179958D+01  0.105949D+01 -0.137463D+00  0.503321D+00  0.420406D+01
      3  -0.833186D+00 -0.137463D+00  0.135585D+00 -0.112180D+01  0.830051D+00
                96            97            98            99           100 
      1  -0.112180D+01  0.478662D-01 -0.268699D+00 -0.414604D+00  0.653219D+01
      2   0.830051D+00 -0.268699D+00  0.884521D+00  0.831140D+00  0.441615D+00
      3   0.138762D+01 -0.414604D+00  0.831140D+00  0.134600D+01  0.102986D+01
               101           102           103           104           105 
      1   0.441615D+00  0.102986D+01  0.131403D+01  0.173728D+01 -0.272249D-01
      2   0.341917D+01 -0.145725D+00  0.173728D+01  0.209472D+01  0.104228D+00
      3  -0.145725D+00  0.772082D+00 -0.272249D-01  0.104228D+00  0.735446D+00
               106           107           108           109           110 
      1   0.208846D+01 -0.160954D-01  0.175408D+00 -0.726161D+00  0.758202D+00
      2  -0.160954D-01  0.823058D+00  0.654039D+00  0.758202D+00 -0.916011D+00
      3   0.175408D+00  0.654039D+00  0.404899D+00 -0.480649D+00  0.421385D+00
               111           112           113           114           115 
      1  -0.480649D+00  0.828996D+00 -0.600408D+00  0.335714D+00 -0.106864D+01
      2   0.421385D+00 -0.600408D+00  0.394068D+01 -0.225936D+01  0.829440D+00
      3  -0.138278D+01  0.335714D+00 -0.225936D+01  0.253171D+01 -0.107721D+01
               116           117           118           119           120 
      1   0.829440D+00 -0.107721D+01  0.493300D+01 -0.103973D+01  0.294030D+01
      2  -0.368798D+01  0.328955D+01 -0.103973D+01  0.915452D+00 -0.578802D+00
      3   0.328955D+01 -0.375767D+01  0.294030D+01 -0.578802D+00  0.305692D+01
               121           122           123           124           125 
      1  -0.948869D+00  0.852161D+00 -0.907826D+00  0.471133D+01 -0.127263D+01
      2   0.852161D+00 -0.291094D+00  0.660272D+00 -0.127263D+01  0.139533D+01
      3  -0.907826D+00  0.660272D+00 -0.192191D+01  0.420281D+01 -0.183028D+01
               126 
      1   0.420281D+01
      2  -0.183028D+01
      3   0.621049D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.111653D+01 -0.603208D+00 -0.446174D+00  0.256182D+01  0.378624D+01
      2   0.535120D+01 -0.115039D+01 -0.626127D+00  0.560124D+00 -0.185725D+01
      3   0.658629D+01  0.486135D+01 -0.122653D+00  0.101381D+02 -0.430952D+01
                 6             7             8             9            10 
      1  -0.456147D+01  0.262962D+01  0.183864D+01 -0.403659D+01 -0.403087D+00
      2  -0.186081D+01 -0.976693D+01 -0.164637D+01 -0.285210D+01 -0.149493D+02
      3  -0.989161D+00 -0.228191D+01 -0.855998D+00 -0.561446D+00 -0.137021D+02
                11            12            13            14            15 
      1   0.946799D+00  0.897381D+00 -0.143640D+00  0.134781D+01 -0.830259D+01
      2   0.127301D+01  0.305688D+01  0.251464D+00 -0.193768D+01  0.596009D+01
      3  -0.889955D+01 -0.418736D-01  0.123212D+02 -0.292914D+01  0.248568D+01
                16            17            18            19            20 
      1   0.990349D-01  0.759914D+01 -0.270234D+01 -0.161512D+01  0.710584D-01
      2  -0.145189D+02  0.605002D+01 -0.197612D+02  0.605359D+01  0.674200D+00
      3   0.577806D+00  0.553276D+01 -0.584930D+01  0.295858D+01 -0.677293D+01
                21            22            23            24            25 
      1  -0.359949D-01 -0.327191D+01  0.143065D+01  0.128963D+01 -0.587399D+00
      2   0.436277D+01  0.161059D+01 -0.104314D+00  0.141093D+01 -0.559600D+01
      3   0.823216D+00 -0.985506D-01 -0.188974D+01  0.267345D+01  0.884371D+00
                26            27            28            29            30 
      1   0.351287D+01 -0.329711D+00  0.172085D+01  0.387768D+00 -0.152811D+01
      2  -0.143644D+01 -0.336294D+01  0.991870D-01 -0.368698D-01  0.323068D+01
      3   0.186656D+01  0.774805D+00 -0.168144D+02 -0.520927D+01 -0.247037D+01
                31            32            33            34            35 
      1   0.179061D+01 -0.643012D+01 -0.166369D+01 -0.246034D+01  0.883926D+01
      2   0.501939D+00 -0.719613D+00 -0.452766D+00 -0.342484D+01  0.244515D+00
      3   0.149666D+01  0.163620D+01 -0.107269D+01 -0.365735D+01  0.131109D+01
                36            37            38            39            40 
      1  -0.586237D+01 -0.568194D+00  0.158348D+01  0.265938D+01  0.218946D+01
      2  -0.131657D+01 -0.980458D+01 -0.639112D+00 -0.457655D+01  0.390041D+01
      3   0.173567D+01 -0.876569D+01  0.270056D+01  0.714252D+00  0.646608D+01
                41            42            43            44            45 
      1  -0.604094D+01  0.535460D+01 -0.334712D-01  0.625835D+01  0.628154D+01
      2  -0.964126D+00 -0.420436D+01 -0.166869D+02 -0.154546D+01  0.563351D+01
      3   0.133687D+02 -0.845739D+00 -0.255040D+01 -0.253662D+01  0.636552D+00
                46            47            48            49            50 
      1   0.227379D+00  0.878293D+00 -0.390758D+01  0.340632D+00  0.291613D+01
      2   0.212835D+01  0.984290D+00  0.629726D+01 -0.471396D+01  0.241178D+01
      3  -0.310262D+00 -0.790762D+01 -0.154195D+01  0.452146D+01 -0.216546D+02
                51            52            53            54            55 
      1  -0.942916D+01 -0.142170D+00  0.179478D+01 -0.251555D+01 -0.214295D+01
      2   0.684890D+01  0.324679D+01  0.563884D+01  0.292659D+01  0.209445D+01
      3  -0.259673D+01  0.377990D+00 -0.163432D+01 -0.564986D+01 -0.541736D+01
                56            57            58            59            60 
      1  -0.457286D+01  0.222670D+01 -0.459503D+01 -0.226412D+01 -0.239760D+01
      2   0.300407D+01  0.778433D+01  0.102757D+01  0.758155D+00 -0.230069D+00
      3  -0.152944D+02 -0.226201D+00 -0.124308D+02 -0.632082D+01  0.282640D+01
                61            62            63            64            65 
      1   0.964667D+00  0.294188D+01 -0.171752D+01  0.200938D+00 -0.600007D+00
      2   0.504484D+01 -0.167431D+01 -0.748151D+01  0.125237D+01 -0.340089D+00
      3   0.139749D+01  0.213407D+01  0.217676D+01 -0.858265D-01  0.324956D+00
                66            67            68            69            70 
      1   0.106417D+00  0.365423D+00  0.848224D+00 -0.425587D+00  0.255299D+00
      2  -0.702103D-01 -0.976395D+00  0.930006D+00  0.225380D+00 -0.322189D+01
      3  -0.482485D+00  0.240075D+01 -0.169795D+00 -0.717625D+00  0.114629D+01
                71            72            73            74            75 
      1   0.331265D+01 -0.682720D+00  0.128417D+01 -0.995928D+00 -0.644864D+00
      2   0.602335D+00  0.220268D+01  0.185560D+01  0.313397D+00  0.829008D+00
      3  -0.510596D+00 -0.555034D+00  0.371759D+00 -0.251021D+01 -0.799675D+00
                76            77            78            79            80 
      1  -0.910610D+00  0.636324D+00  0.849519D+00 -0.129451D+01  0.250829D+01
      2  -0.108042D+01  0.933737D+00  0.108177D+01 -0.456459D+01  0.183065D+00
      3  -0.287517D+00 -0.135809D+00 -0.441248D+00 -0.225510D+01  0.778230D-01
                81            82            83            84            85 
      1   0.503983D+01 -0.106328D+01 -0.545243D+00 -0.769523D+00 -0.136925D+01
      2   0.450194D+01  0.499619D+00  0.670313D+00  0.138513D+01  0.157117D+01
      3   0.193595D+01  0.298987D+01 -0.142316D+01 -0.121069D-01  0.521532D+01
                86            87            88            89            90 
      1  -0.338099D+01 -0.212402D+01 -0.976578D+00 -0.235324D+00  0.159333D+00
      2   0.158140D+01 -0.314138D+00 -0.449998D+00 -0.277457D+00 -0.146786D+00
      3   0.516200D+01  0.126225D+00  0.132128D+01  0.730984D+00  0.123500D+01
                91            92            93            94            95 
      1   0.343695D+01  0.390224D+01  0.528864D-01  0.460118D+01  0.381361D+01
      2  -0.272649D+01 -0.221441D+01 -0.165866D+01 -0.929346D+00 -0.348973D+01
      3   0.893358D+01  0.923861D+01 -0.133900D+01  0.120718D+02  0.141859D+02
                96            97            98            99           100 
      1  -0.185595D+01  0.244814D+00  0.796743D+00 -0.117934D+01 -0.283860D+01
      2  -0.282802D+01 -0.176798D+01 -0.220893D+01 -0.806109D+00 -0.494460D+00
      3  -0.266796D+00 -0.104434D+01  0.396788D+00  0.959337D+00  0.222291D+02
               101           102           103           104           105 
      1  -0.516692D+00 -0.271444D+01 -0.344393D+00 -0.889049D+00 -0.126699D+01
      2   0.442466D+00  0.608007D+00 -0.470875D-02  0.444627D+00  0.125698D+01
      3  -0.257306D+01  0.314594D+01  0.260639D+01  0.188366D+01 -0.445309D+00
               106           107           108           109           110 
      1  -0.411173D+00 -0.363610D+00 -0.935073D+00  0.333075D+00 -0.102589D+01
      2  -0.175714D+01  0.122818D+01  0.315019D+00  0.957128D-02 -0.352611D+00
      3   0.627714D+01 -0.687530D+00 -0.375270D+00 -0.121474D+01  0.456423D+00
               111           112           113           114           115 
      1   0.315161D+01 -0.428860D+00  0.355335D+01 -0.566627D+01  0.166672D+01
      2   0.662659D+00  0.465004D+00  0.429493D+00 -0.714753D+00 -0.156911D+01
      3   0.224295D+00  0.288463D+01  0.550373D+00 -0.359533D+00 -0.245672D+01
               116           117           118           119           120 
      1  -0.442549D+01  0.766642D+01  0.311339D+00  0.109020D+01  0.952320D+00
      2  -0.767864D+00  0.132600D+01  0.812757D+01 -0.145815D+01  0.102351D+02
      3   0.137156D+00 -0.776965D+00  0.176149D+01 -0.472422D+01  0.959691D+00
               121           122           123           124           125 
      1  -0.282091D+00 -0.497230D+00 -0.132074D+01  0.525224D+00  0.335428D+01
      2  -0.218343D+01  0.158352D+01 -0.617914D+01  0.929545D+01 -0.487089D+01
      3  -0.156839D+01  0.110327D+01 -0.879757D+00  0.226345D+01 -0.596216D+01
               126 
      1   0.198300D+01
      2   0.193243D+02
      3   0.431380D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.528440D+02 -0.372457D+01  0.354057D+01 -0.789919D+01  0.144467D+02
      2   0.268467D+02  0.167481D+01 -0.243298D+01  0.210400D+01 -0.143244D+02
      3   0.259973D+02  0.204976D+01 -0.110759D+01  0.579519D+01 -0.122281D+00
      4   0.108520D+01 -0.106023D+02 -0.282010D+01  0.120532D+02  0.176197D+01
      5   0.654298D+01 -0.231748D+01 -0.784326D+01  0.227905D+01 -0.568689D-03
      6  -0.272514D+01  0.105594D+01 -0.462460D+00  0.118129D+01  0.372512D+00
                 6             7             8             9            10 
      1   0.560235D+01  0.612037D+01  0.455013D+01  0.876587D+01  0.842605D+02
      2  -0.423992D+00 -0.615841D+01 -0.126624D+01  0.262134D+01 -0.394285D+02
      3  -0.517835D+01  0.380383D-01 -0.328389D+01 -0.113872D+02 -0.448321D+02
      4  -0.952523D+00  0.580990D+00  0.315915D+01 -0.204105D+01  0.425541D+01
      5  -0.362035D+01  0.379880D+01 -0.187821D+00 -0.329707D+01 -0.266089D+02
      6   0.444874D+01 -0.103659D+01  0.257796D+01  0.610479D+00  0.433922D+01
                11            12            13            14            15 
      1   0.111804D+02 -0.239289D+02  0.197354D+02 -0.245685D+01 -0.108050D+01
      2  -0.851477D+01  0.125457D+02 -0.158332D+02  0.186060D+02  0.959499D+00
      3  -0.266567D+01  0.113831D+02 -0.390223D+01 -0.161491D+02  0.120998D+00
      4   0.253606D+02  0.533062D+01  0.290382D+02 -0.481616D+01 -0.476248D+01
      5   0.497831D+01  0.625905D+01  0.456832D+01 -0.409233D+01  0.120675D+02
      6  -0.152725D+00  0.151445D+01 -0.710534D+00  0.468668D+01  0.116994D+02
                16            17            18            19            20 
      1  -0.287147D+02 -0.569836D+00 -0.798769D+01  0.841946D+00 -0.185493D+01
      2   0.186843D+02 -0.147819D+01 -0.449082D+01  0.146031D+01 -0.757628D+00
      3   0.100304D+02  0.204803D+01  0.124785D+02 -0.230226D+01  0.261256D+01
      4   0.812533D+01 -0.839820D+01  0.101847D+02 -0.164004D+01  0.583697D+01
      5   0.124024D+02  0.108119D+02 -0.388945D+02  0.298855D+01  0.165480D+01
      6   0.109777D+01  0.143156D+02  0.898391D+01 -0.610894D+00 -0.237592D+01
                21            22            23            24            25 
      1   0.947125D+00  0.256637D+01  0.552226D+01  0.399899D+01 -0.597157D+01
      2  -0.162903D+01 -0.210009D+01 -0.633156D+01  0.243061D+01  0.156475D+01
      3   0.681902D+00 -0.466279D+00  0.809306D+00 -0.642960D+01  0.440682D+01
      4   0.255014D+01 -0.724445D+01  0.658918D+01  0.174657D+01  0.408858D+01
      5   0.388133D+01  0.146789D+01  0.155219D+01  0.185162D+01 -0.591257D+00
      6   0.112992D+00  0.250408D+01 -0.280320D+00 -0.832070D+01  0.965494D+00
                26            27            28            29            30 
      1   0.485072D+01  0.469422D+01  0.501474D+01  0.278033D+01 -0.237442D+01
      2   0.134980D+01  0.102172D+02 -0.527635D+01 -0.496640D+01  0.176704D+01
      3  -0.620052D+01 -0.149114D+02  0.261612D+00  0.218608D+01  0.607378D+00
      4  -0.421088D+01 -0.285975D+00 -0.760355D+01 -0.226153D+01 -0.737515D+00
      5  -0.134183D+01 -0.970794D+00 -0.199522D+01  0.365236D+00  0.519303D+01
      6   0.188911D+01 -0.292122D+01 -0.177014D+01 -0.268417D+00  0.455142D+01
                31            32            33            34            35 
      1  -0.892109D+00 -0.129700D+02 -0.678150D+01  0.803365D+00 -0.838496D+01
      2  -0.183872D+01  0.224474D+02  0.613204D+01  0.359273D+00  0.864547D+01
      3   0.273083D+01 -0.947743D+01  0.649466D+00 -0.116264D+01 -0.260512D+00
      4   0.256728D+01 -0.602477D+01 -0.363850D+01 -0.124132D+01 -0.277213D+01
      5   0.999347D+00 -0.223802D+01  0.353717D+00  0.280183D+01  0.113398D+01
      6  -0.545848D+01  0.994739D+01 -0.625855D-01  0.494717D+01 -0.755930D+01
                36            37            38            39            40 
      1   0.452469D+01 -0.334312D+01  0.965028D+01  0.558917D-01 -0.641657D+01
      2  -0.822377D+01 -0.117202D+01 -0.110870D+02 -0.442538D+01  0.583990D+00
      3   0.369908D+01  0.451514D+01  0.143673D+01  0.436949D+01  0.583258D+01
      4   0.323378D+01 -0.221032D+01 -0.174893D+02 -0.667872D+01 -0.256690D+02
      5  -0.308636D+01 -0.212269D+01 -0.804222D+01 -0.966958D+01 -0.136347D+02
      6   0.123505D+02 -0.109546D+01 -0.428167D+00 -0.309745D+01 -0.117066D+01
                41            42            43            44            45 
      1   0.196823D-01 -0.103919D+01  0.363502D+01 -0.601494D+01 -0.437569D+01
      2  -0.133440D+02  0.611603D+01 -0.403524D+01 -0.590590D+00 -0.199772D+01
      3   0.133244D+02 -0.507684D+01  0.400212D+00  0.660553D+01  0.637341D+01
      4  -0.274515D+02 -0.457074D+01 -0.146973D+02  0.164035D+01 -0.221333D+01
      5  -0.531197D+01 -0.799810D+01 -0.289698D+01 -0.155867D+01  0.509514D+01
      6  -0.493175D+01 -0.889310D+01 -0.160405D+01  0.326121D+01 -0.557789D+01
                46            47            48            49            50 
      1   0.224097D+02  0.947771D+01  0.319107D+01  0.124148D+02 -0.121238D+02
      2  -0.693403D+01  0.203806D+01 -0.227851D+01  0.135428D+01  0.345503D+02
      3  -0.154756D+02 -0.115158D+02 -0.912553D+00 -0.137691D+02 -0.224265D+02
      4   0.257291D+02  0.271286D+02  0.639049D+01  0.326731D+02  0.541205D+02
      5   0.909065D+01  0.686626D+01  0.124330D+02  0.686259D+01  0.102942D+02
      6   0.278195D+01  0.218624D+01  0.556573D+01  0.422650D+01  0.642092D+01
                51            52            53            54            55 
      1  -0.268736D+01  0.326832D+01 -0.136223D+01 -0.151451D+01  0.423347D+02
      2   0.820033D+00 -0.156533D+01  0.133739D+01 -0.524599D+00 -0.255259D+02
      3   0.186733D+01 -0.170299D+01  0.248383D-01  0.203911D+01 -0.168089D+02
      4   0.872037D+01  0.647960D+01  0.604758D+01  0.142996D+02 -0.174135D+02
      5   0.150025D+02  0.144632D+02  0.143052D+02  0.107205D+02 -0.137097D+02
      6   0.144818D+02  0.661751D+01  0.123556D+02  0.664576D+01  0.237005D+01
                56            57            58            59            60 
      1  -0.562127D+01 -0.695543D+01  0.613207D+01  0.117240D+02 -0.261996D+01
      2   0.813969D+00  0.879108D+01 -0.707321D+01 -0.374713D+01  0.166030D+00
      3   0.480730D+01 -0.183565D+01  0.941143D+00 -0.797690D+01  0.245393D+01
      4   0.196933D+02  0.511638D+01  0.197130D+02 -0.572507D+01 -0.242399D+01
      5   0.441116D+01  0.168956D+02  0.961703D+00 -0.409593D+01 -0.146251D+01
      6  -0.134985D+01 -0.360101D+01 -0.714632D+00  0.141767D+01  0.686210D+01
                61            62            63            64            65 
      1  -0.388476D+01  0.237214D+01  0.339283D+01  0.156410D+00  0.138708D+00
      2   0.476633D+01 -0.189597D+01 -0.110695D+02 -0.351583D+01  0.675569D+00
      3  -0.881573D+00 -0.476172D+00  0.767665D+01  0.335942D+01 -0.814278D+00
      4   0.690921D+01 -0.505104D+01 -0.652443D+01 -0.512067D+00  0.774796D+00
      5   0.162871D+02 -0.599155D+01 -0.169218D+02 -0.836398D+00  0.969567D+00
      6  -0.206241D+01  0.491072D+01  0.325496D+01  0.112235D+01 -0.344267D+00
                66            67            68            69            70 
      1   0.115184D+01  0.134898D+00 -0.457524D+01 -0.359898D+01  0.152316D+01
      2   0.802846D+00  0.858026D+00  0.222367D+00 -0.184673D+01  0.765471D+00
      3  -0.195469D+01 -0.992924D+00  0.435287D+01  0.544571D+01 -0.228863D+01
      4   0.474221D+00  0.270095D+01 -0.863869D+00 -0.796157D-01  0.940494D+00
      5   0.428673D+01  0.115751D+01 -0.196029D+00 -0.508605D+00  0.424038D+01
      6  -0.181063D+00 -0.752131D+00  0.373525D+01  0.752312D+01 -0.799615D+00
                71            72            73            74            75 
      1  -0.244158D+01 -0.183021D+02  0.425913D+01 -0.641186D-01  0.257773D+01
      2  -0.402681D+01 -0.138230D+02 -0.476880D+01  0.205879D+00  0.973187D+00
      3   0.646838D+01  0.321250D+02  0.509669D+00 -0.141760D+00 -0.355092D+01
      4   0.966661D+00  0.165994D+00 -0.755343D+00  0.254970D+01 -0.907753D-01
      5   0.402986D+00  0.666529D+00 -0.209648D+01  0.736496D+00  0.592344D+01
      6   0.506434D+01  0.543128D+01  0.633041D+00 -0.571604D+00  0.381703D+00
                76            77            78            79            80 
      1   0.433377D+01 -0.402991D+01 -0.254527D+01  0.897825D+01  0.890235D+00
      2  -0.130125D+01  0.141676D+01 -0.160761D+01 -0.805576D+00 -0.130983D+01
      3  -0.303252D+01  0.261315D+01  0.415288D+01 -0.817267D+01  0.419593D+00
      4  -0.403623D+00  0.685729D+00  0.952320D+00 -0.188842D+01  0.251382D+00
      5   0.503376D+00  0.460584D+00  0.131448D+01  0.226743D+01 -0.790762D+00
      6  -0.700501D+00  0.371294D+00  0.352534D+01  0.114934D+01  0.357747D+01
                81            82            83            84            85 
      1  -0.220701D+02  0.115176D+01 -0.229358D+01  0.302130D+00 -0.100666D+02
      2  -0.821562D+01  0.199861D+01  0.312397D+01 -0.187385D-01  0.925007D+01
      3   0.302858D+02 -0.315037D+01 -0.830392D+00 -0.283392D+00  0.816537D+00
      4   0.743429D+00  0.166017D+01  0.638694D+01  0.499596D+00  0.221001D+01
      5   0.455900D+01 -0.186745D+00 -0.185782D+00  0.220776D+01 -0.725764D+00
      6  -0.445195D+01  0.323064D+00 -0.965116D+00  0.390116D+00 -0.168402D+01
                86            87            88            89            90 
      1  -0.216528D+02  0.305253D+01 -0.263021D+01 -0.447030D+00 -0.432563D+01
      2   0.289290D+02 -0.206212D+01  0.233799D+01  0.108544D+01  0.231538D+01
      3  -0.727615D+01 -0.990418D+00  0.292223D+00 -0.638414D+00  0.201025D+01
      4  -0.424276D+01  0.521257D+00  0.723014D-02 -0.129241D+01 -0.311468D+00
      5  -0.279923D+00 -0.258523D+00  0.662315D+00 -0.682492D+00 -0.353871D+00
      6  -0.551252D+01  0.404990D+01  0.143123D+01  0.427777D+01 -0.789491D+00
                91            92            93            94            95 
      1  -0.131834D+02 -0.549731D+01  0.219310D+01 -0.142873D+02 -0.883325D+01
      2   0.105609D+02  0.223105D+01 -0.315015D+01  0.826315D+01  0.984427D+01
      3   0.262250D+01  0.326627D+01  0.957049D+00  0.602412D+01 -0.101102D+01
      4  -0.228926D+01 -0.242765D+01 -0.946454D+00  0.416124D+01 -0.148641D+02
      5   0.384308D+01  0.199228D+00 -0.373163D+01  0.478960D+01 -0.281193D+01
      6  -0.167048D+01 -0.651615D+00 -0.108090D+01 -0.284078D+01  0.423242D+01
                96            97            98            99           100 
      1   0.896691D+00  0.141871D+01 -0.244463D+01 -0.294968D+01  0.566945D+01
      2  -0.749333D+00 -0.111821D+01  0.182748D+01  0.916530D+00  0.845026D+00
      3  -0.147358D+00 -0.300495D+00  0.617146D+00  0.203315D+01 -0.651448D+01
      4  -0.467149D+01  0.525218D+00 -0.240361D+01 -0.259175D+01  0.113796D+02
      5  -0.581080D+01  0.187342D+01 -0.259859D+01 -0.235000D+01 -0.383054D+00
      6   0.335958D+01 -0.618656D+00  0.382411D+01  0.382906D+01  0.269240D+01
               101           102           103           104           105 
      1  -0.953472D+01  0.187632D+01 -0.390624D+01 -0.218328D+01 -0.101483D+00
      2   0.131399D+02  0.633325D-01  0.666934D+01  0.634162D+01  0.554108D+00
      3  -0.360516D+01 -0.193966D+01 -0.276310D+01 -0.415834D+01 -0.452625D+00
      4   0.815688D+01  0.180341D+01  0.838435D+01  0.773986D+01  0.108845D+01
      5  -0.375217D-01 -0.840610D-01 -0.773583D+00  0.398512D+00  0.170978D+01
      6  -0.832911D+00  0.419935D+01  0.147900D-01 -0.532466D-01  0.263755D+01
               106           107           108           109           110 
      1  -0.588006D-01 -0.189074D+01 -0.148415D+01 -0.115675D+01  0.213140D+01
      2   0.454349D+00  0.216593D+01  0.746121D+00  0.147891D+01 -0.212194D+01
      3  -0.395549D+00 -0.275192D+00  0.738028D+00 -0.322159D+00 -0.945917D-02
      4   0.341929D+01  0.127490D+01  0.162339D+01 -0.231103D+01  0.465651D+01
      5   0.166080D+01  0.129430D+01  0.205677D+00  0.145460D+01 -0.241944D+01
      6   0.601972D+00  0.344741D+01  0.141884D+01 -0.292091D+01  0.359125D+01
               111           112           113           114           115 
      1  -0.149217D+01  0.165749D+01 -0.138900D+02  0.852957D+01 -0.286094D+01
      2   0.765945D+00 -0.199961D+01  0.160800D+02 -0.890306D+01  0.146628D+01
      3   0.726227D+00  0.342120D+00 -0.219002D+01  0.373490D+00  0.139466D+01
      4  -0.332296D+01  0.432466D+01 -0.267063D+01  0.188629D+01 -0.347119D+01
      5   0.355156D+01 -0.110600D+01  0.140483D+01 -0.106739D+01  0.329383D+01
      6  -0.578548D+01  0.224053D+01 -0.153603D+02  0.147709D+02 -0.499039D+01
               116           117           118           119           120 
      1   0.132532D+02 -0.136064D+02  0.264030D+02 -0.549095D+01  0.175747D+02
      2  -0.112904D+02  0.723065D+01 -0.175561D+02  0.290586D+01 -0.111042D+02
      3  -0.196277D+01  0.637578D+01 -0.884691D+01  0.258509D+01 -0.647052D+01
      4   0.330383D+01 -0.408168D+01 -0.841635D+01  0.770128D+01 -0.523462D+01
      5  -0.229535D+01  0.322477D+01  0.230140D+02 -0.484491D+01  0.237476D+02
      6   0.189322D+02 -0.194949D+02 -0.346905D+01  0.110716D+01 -0.250738D+01
               121           122           123           124           125 
      1  -0.414556D+01  0.692552D+00 -0.318168D+01  0.190440D+02 -0.391627D+01
      2   0.234064D+01 -0.707394D-01  0.152610D+01 -0.160458D+02  0.389071D+01
      3   0.180491D+01 -0.621812D+00  0.165559D+01 -0.299820D+01  0.255641D-01
      4   0.697173D+01 -0.328031D+01  0.517877D+01 -0.977768D+01  0.748441D+01
      5  -0.734932D+01  0.491642D+01 -0.115733D+02  0.312173D+02 -0.115432D+02
      6   0.285924D+01 -0.271226D+01  0.696840D+01 -0.474071D+01  0.459073D+01
               126 
      1   0.132047D+02
      2  -0.177359D+02
      3   0.453112D+01
      4  -0.122012D+02
      5   0.403974D+02
      6  -0.695565D+01
 Leave Link  716 at Thu Aug 12 22:16:18 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.914806D+02  0.958062D+00 -0.100531D+01
      2   0.958062D+00  0.754649D+02  0.233371D+01
      3  -0.100531D+01  0.233371D+01  0.630504D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.268300D+01 -0.454480D+00 -0.154058D+01
      2   0.733752D+01 -0.641995D+01  0.280043D+02
      3   0.786397D+01 -0.157220D+02  0.492199D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.100008D+03 -0.170499D+02  0.147691D+02
      2  -0.586851D+02  0.131504D+02 -0.139596D+02
      3  -0.413233D+02  0.389954D+01 -0.809483D+00
      4  -0.191262D+02  0.142465D+02 -0.170536D+02
      5   0.172535D+02 -0.179346D+02  0.503886D+02
      6  -0.562816D+01 -0.691140D+01  0.330246D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.123918D+02 -0.210448D+01  0.200752D+01 -0.397778D+01  0.229463D+01
      2  -0.210448D+01 -0.299864D+00 -0.617731D+00  0.229463D+01  0.362816D+01
      3   0.200752D+01 -0.617731D+00 -0.596344D-01  0.195468D+00  0.105936D+00
                 6             7             8             9            10 
      1   0.195468D+00  0.363769D+01  0.593315D+00  0.127411D+01  0.139971D+02
      2   0.105936D+00  0.593315D+00  0.151041D+01 -0.905755D+00  0.254611D+01
      3  -0.203228D+01  0.127411D+01 -0.905755D+00 -0.442104D+01 -0.441798D+01
                11            12            13            14            15 
      1   0.254611D+01 -0.441798D+01  0.424714D+01  0.267282D+01  0.631861D+00
      2   0.205737D+01  0.694740D+00  0.267282D+01  0.100310D+00 -0.959455D+00
      3   0.694740D+00 -0.465709D+00  0.631861D+00 -0.959455D+00  0.217012D+01
                16            17            18            19            20 
      1  -0.696609D+01  0.832272D+00  0.940386D+00  0.332870D+01  0.174481D+01
      2   0.832272D+00 -0.183855D+01  0.191522D+01  0.174481D+01 -0.848774D+00
      3   0.940386D+00  0.191522D+01 -0.664667D+01 -0.132472D+01 -0.389125D-01
                21            22            23            24            25 
      1  -0.132472D+01  0.436245D+01 -0.366068D+00  0.592708D+00 -0.343818D+01
      2  -0.389125D-01 -0.366068D+00 -0.242875D+01  0.477896D+00 -0.217454D+00
      3  -0.984181D+00  0.592708D+00  0.477896D+00  0.186982D+01 -0.124401D+01
                26            27            28            29            30 
      1  -0.217454D+00 -0.124401D+01 -0.505701D+01  0.154597D+00 -0.239517D+00
      2  -0.218248D+00  0.257629D+01  0.154597D+00 -0.106413D+01  0.944993D-01
      3   0.257629D+01  0.512026D+01 -0.239517D+00  0.944993D-01  0.120963D+01
                31            32            33            34            35 
      1  -0.110888D+01 -0.466412D+00 -0.766749D+00 -0.389216D+00 -0.573543D+00
      2  -0.466412D+00  0.307568D+01  0.138098D+01 -0.573543D+00  0.286944D+01
      3  -0.766749D+00  0.138098D+01 -0.172625D+01  0.114335D+01 -0.194387D+01
                36            37            38            39            40 
      1   0.114335D+01 -0.287181D+01 -0.532495D+00  0.844733D+00  0.447266D-02
      2  -0.194387D+01 -0.532495D+00  0.124290D+01  0.127947D+01  0.301185D+01
      3   0.205732D+01  0.844733D+00  0.127947D+01 -0.149561D-01  0.138609D+01
                41            42            43            44            45 
      1   0.301185D+01  0.138609D+01  0.173586D+01  0.184362D+01  0.378646D+00
      2   0.492411D+01  0.885706D+00  0.184362D+01  0.123810D+01 -0.191428D+00
      3   0.885706D+00  0.173203D+00  0.378646D+00 -0.191428D+00 -0.522735D+00
                46            47            48            49            50 
      1  -0.402970D+01 -0.389744D+01 -0.142864D+01 -0.510758D+01 -0.400594D+01
      2  -0.389744D+01 -0.289082D+01 -0.944658D+00 -0.400594D+01 -0.112223D+02
      3  -0.142864D+01 -0.944658D+00 -0.845512D+00 -0.803665D+00 -0.182336D+01
                51            52            53            54            55 
      1  -0.803665D+00 -0.163216D+01 -0.855847D+00 -0.192378D+01 -0.661451D+01
      2  -0.182336D+01 -0.855847D+00 -0.141054D+01 -0.295405D+01  0.115553D+01
      3  -0.241981D+01 -0.192378D+01 -0.295405D+01 -0.222325D+01  0.221489D+01
                56            57            58            59            60 
      1   0.115553D+01  0.221489D+01 -0.163955D+01 -0.375291D+01  0.396494D+00
      2  -0.255652D+01 -0.428406D+00 -0.375291D+01 -0.581172D+00  0.509556D+00
      3  -0.428406D+00 -0.130386D+01  0.396494D+00  0.509556D+00  0.107779D+00
                61            62            63            64            65 
      1   0.158297D+01 -0.888617D+00 -0.177257D+01  0.601529D+00 -0.665138D+00
      2  -0.888617D+00  0.242281D-01  0.110649D+01 -0.665138D+00  0.342002D+00
      3  -0.177257D+01  0.110649D+01  0.254078D+01 -0.773899D+00  0.165762D-01
                66            67            68            69            70 
      1  -0.773899D+00 -0.118517D+01  0.314544D+00 -0.230330D-01 -0.136879D+01
      2   0.165762D-01  0.314544D+00 -0.827105D+00 -0.135230D+01  0.118373D+00
      3   0.831785D+00 -0.230330D-01 -0.135230D+01 -0.155100D+01  0.137961D+00
                71            72            73            74            75 
      1   0.118373D+00  0.137961D+00  0.386182D+00  0.294102D+00  0.668302D+00
      2  -0.195805D+01 -0.158483D+01  0.294102D+00 -0.109594D-02  0.120304D+00
      3  -0.158483D+01 -0.733356D+01  0.668302D+00  0.120304D+00 -0.798346D+00
                76            77            78            79            80 
      1   0.154975D+01 -0.536165D+00 -0.979508D-01  0.245388D+01 -0.905273D-01
      2  -0.536165D+00  0.651378D-01  0.785714D+00 -0.905273D-01  0.847829D+00
      3  -0.979508D-01  0.785714D+00  0.141824D+01 -0.139639D+01 -0.192118D+00
                81            82            83            84            85 
      1  -0.139639D+01 -0.470185D+00 -0.655257D+00 -0.207016D+00 -0.262155D+01
      2  -0.192118D+00 -0.655257D+00 -0.459176D+00  0.264727D+00 -0.165869D+01
      3   0.690207D+01 -0.207016D+00  0.264727D+00 -0.151023D+00  0.209920D+00
                86            87            88            89            90 
      1  -0.165869D+01  0.209920D+00 -0.139499D+01 -0.336107D-01 -0.424114D+00
      2  -0.668243D+01  0.654135D+00 -0.336107D-01 -0.479548D+00 -0.770392D+00
      3   0.654135D+00 -0.742694D+00 -0.424114D+00 -0.770392D+00  0.323103D+00
                91            92            93            94            95 
      1   0.238246D+01  0.179958D+01 -0.833186D+00  0.428255D+01  0.503321D+00
      2   0.179958D+01  0.105949D+01 -0.137463D+00  0.503321D+00  0.420406D+01
      3  -0.833186D+00 -0.137463D+00  0.135585D+00 -0.112180D+01  0.830051D+00
                96            97            98            99           100 
      1  -0.112180D+01  0.478662D-01 -0.268699D+00 -0.414604D+00  0.653219D+01
      2   0.830051D+00 -0.268699D+00  0.884521D+00  0.831140D+00  0.441615D+00
      3   0.138762D+01 -0.414604D+00  0.831140D+00  0.134600D+01  0.102986D+01
               101           102           103           104           105 
      1   0.441615D+00  0.102986D+01  0.131403D+01  0.173728D+01 -0.272249D-01
      2   0.341917D+01 -0.145725D+00  0.173728D+01  0.209472D+01  0.104228D+00
      3  -0.145725D+00  0.772082D+00 -0.272249D-01  0.104228D+00  0.735446D+00
               106           107           108           109           110 
      1   0.208846D+01 -0.160954D-01  0.175408D+00 -0.726161D+00  0.758202D+00
      2  -0.160954D-01  0.823058D+00  0.654039D+00  0.758202D+00 -0.916011D+00
      3   0.175408D+00  0.654039D+00  0.404899D+00 -0.480649D+00  0.421385D+00
               111           112           113           114           115 
      1  -0.480649D+00  0.828996D+00 -0.600408D+00  0.335714D+00 -0.106864D+01
      2   0.421385D+00 -0.600408D+00  0.394068D+01 -0.225936D+01  0.829440D+00
      3  -0.138278D+01  0.335714D+00 -0.225936D+01  0.253171D+01 -0.107721D+01
               116           117           118           119           120 
      1   0.829440D+00 -0.107721D+01  0.493300D+01 -0.103973D+01  0.294030D+01
      2  -0.368798D+01  0.328955D+01 -0.103973D+01  0.915452D+00 -0.578802D+00
      3   0.328955D+01 -0.375767D+01  0.294030D+01 -0.578802D+00  0.305692D+01
               121           122           123           124           125 
      1  -0.948869D+00  0.852161D+00 -0.907826D+00  0.471133D+01 -0.127263D+01
      2   0.852161D+00 -0.291094D+00  0.660272D+00 -0.127263D+01  0.139533D+01
      3  -0.907826D+00  0.660272D+00 -0.192191D+01  0.420281D+01 -0.183028D+01
               126 
      1   0.420281D+01
      2  -0.183028D+01
      3   0.621049D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.111653D+01 -0.603208D+00 -0.446174D+00  0.256182D+01  0.378624D+01
      2   0.535120D+01 -0.115039D+01 -0.626127D+00  0.560124D+00 -0.185725D+01
      3   0.658629D+01  0.486135D+01 -0.122653D+00  0.101381D+02 -0.430952D+01
                 6             7             8             9            10 
      1  -0.456147D+01  0.262962D+01  0.183864D+01 -0.403659D+01 -0.403087D+00
      2  -0.186081D+01 -0.976693D+01 -0.164637D+01 -0.285210D+01 -0.149493D+02
      3  -0.989161D+00 -0.228191D+01 -0.855998D+00 -0.561446D+00 -0.137021D+02
                11            12            13            14            15 
      1   0.946799D+00  0.897381D+00 -0.143640D+00  0.134781D+01 -0.830259D+01
      2   0.127301D+01  0.305688D+01  0.251464D+00 -0.193768D+01  0.596009D+01
      3  -0.889955D+01 -0.418736D-01  0.123212D+02 -0.292914D+01  0.248568D+01
                16            17            18            19            20 
      1   0.990349D-01  0.759914D+01 -0.270234D+01 -0.161512D+01  0.710584D-01
      2  -0.145189D+02  0.605002D+01 -0.197612D+02  0.605359D+01  0.674200D+00
      3   0.577806D+00  0.553276D+01 -0.584930D+01  0.295858D+01 -0.677293D+01
                21            22            23            24            25 
      1  -0.359949D-01 -0.327191D+01  0.143065D+01  0.128963D+01 -0.587399D+00
      2   0.436277D+01  0.161059D+01 -0.104314D+00  0.141093D+01 -0.559600D+01
      3   0.823216D+00 -0.985506D-01 -0.188974D+01  0.267345D+01  0.884371D+00
                26            27            28            29            30 
      1   0.351287D+01 -0.329711D+00  0.172085D+01  0.387768D+00 -0.152811D+01
      2  -0.143644D+01 -0.336294D+01  0.991870D-01 -0.368698D-01  0.323068D+01
      3   0.186656D+01  0.774805D+00 -0.168144D+02 -0.520927D+01 -0.247037D+01
                31            32            33            34            35 
      1   0.179061D+01 -0.643012D+01 -0.166369D+01 -0.246034D+01  0.883926D+01
      2   0.501939D+00 -0.719613D+00 -0.452766D+00 -0.342484D+01  0.244515D+00
      3   0.149666D+01  0.163620D+01 -0.107269D+01 -0.365735D+01  0.131109D+01
                36            37            38            39            40 
      1  -0.586237D+01 -0.568194D+00  0.158348D+01  0.265938D+01  0.218946D+01
      2  -0.131657D+01 -0.980458D+01 -0.639112D+00 -0.457655D+01  0.390041D+01
      3   0.173567D+01 -0.876569D+01  0.270056D+01  0.714252D+00  0.646608D+01
                41            42            43            44            45 
      1  -0.604094D+01  0.535460D+01 -0.334712D-01  0.625835D+01  0.628154D+01
      2  -0.964126D+00 -0.420436D+01 -0.166869D+02 -0.154546D+01  0.563351D+01
      3   0.133687D+02 -0.845739D+00 -0.255040D+01 -0.253662D+01  0.636552D+00
                46            47            48            49            50 
      1   0.227379D+00  0.878293D+00 -0.390758D+01  0.340632D+00  0.291613D+01
      2   0.212835D+01  0.984290D+00  0.629726D+01 -0.471396D+01  0.241178D+01
      3  -0.310262D+00 -0.790762D+01 -0.154195D+01  0.452146D+01 -0.216546D+02
                51            52            53            54            55 
      1  -0.942916D+01 -0.142170D+00  0.179478D+01 -0.251555D+01 -0.214295D+01
      2   0.684890D+01  0.324679D+01  0.563884D+01  0.292659D+01  0.209445D+01
      3  -0.259673D+01  0.377990D+00 -0.163432D+01 -0.564986D+01 -0.541736D+01
                56            57            58            59            60 
      1  -0.457286D+01  0.222670D+01 -0.459503D+01 -0.226412D+01 -0.239760D+01
      2   0.300407D+01  0.778433D+01  0.102757D+01  0.758155D+00 -0.230069D+00
      3  -0.152944D+02 -0.226201D+00 -0.124308D+02 -0.632082D+01  0.282640D+01
                61            62            63            64            65 
      1   0.964667D+00  0.294188D+01 -0.171752D+01  0.200938D+00 -0.600007D+00
      2   0.504484D+01 -0.167431D+01 -0.748151D+01  0.125237D+01 -0.340089D+00
      3   0.139749D+01  0.213407D+01  0.217676D+01 -0.858265D-01  0.324956D+00
                66            67            68            69            70 
      1   0.106417D+00  0.365423D+00  0.848224D+00 -0.425587D+00  0.255299D+00
      2  -0.702103D-01 -0.976395D+00  0.930006D+00  0.225380D+00 -0.322189D+01
      3  -0.482485D+00  0.240075D+01 -0.169795D+00 -0.717625D+00  0.114629D+01
                71            72            73            74            75 
      1   0.331265D+01 -0.682720D+00  0.128417D+01 -0.995928D+00 -0.644864D+00
      2   0.602335D+00  0.220268D+01  0.185560D+01  0.313397D+00  0.829008D+00
      3  -0.510596D+00 -0.555034D+00  0.371759D+00 -0.251021D+01 -0.799675D+00
                76            77            78            79            80 
      1  -0.910610D+00  0.636324D+00  0.849519D+00 -0.129451D+01  0.250829D+01
      2  -0.108042D+01  0.933737D+00  0.108177D+01 -0.456459D+01  0.183065D+00
      3  -0.287517D+00 -0.135809D+00 -0.441248D+00 -0.225510D+01  0.778230D-01
                81            82            83            84            85 
      1   0.503983D+01 -0.106328D+01 -0.545243D+00 -0.769523D+00 -0.136925D+01
      2   0.450194D+01  0.499619D+00  0.670313D+00  0.138513D+01  0.157117D+01
      3   0.193595D+01  0.298987D+01 -0.142316D+01 -0.121069D-01  0.521532D+01
                86            87            88            89            90 
      1  -0.338099D+01 -0.212402D+01 -0.976578D+00 -0.235324D+00  0.159333D+00
      2   0.158140D+01 -0.314138D+00 -0.449998D+00 -0.277457D+00 -0.146786D+00
      3   0.516200D+01  0.126225D+00  0.132128D+01  0.730984D+00  0.123500D+01
                91            92            93            94            95 
      1   0.343695D+01  0.390224D+01  0.528864D-01  0.460118D+01  0.381361D+01
      2  -0.272649D+01 -0.221441D+01 -0.165866D+01 -0.929346D+00 -0.348973D+01
      3   0.893358D+01  0.923861D+01 -0.133900D+01  0.120718D+02  0.141859D+02
                96            97            98            99           100 
      1  -0.185595D+01  0.244814D+00  0.796743D+00 -0.117934D+01 -0.283860D+01
      2  -0.282802D+01 -0.176798D+01 -0.220893D+01 -0.806109D+00 -0.494460D+00
      3  -0.266796D+00 -0.104434D+01  0.396788D+00  0.959337D+00  0.222291D+02
               101           102           103           104           105 
      1  -0.516692D+00 -0.271444D+01 -0.344393D+00 -0.889049D+00 -0.126699D+01
      2   0.442466D+00  0.608007D+00 -0.470875D-02  0.444627D+00  0.125698D+01
      3  -0.257306D+01  0.314594D+01  0.260639D+01  0.188366D+01 -0.445309D+00
               106           107           108           109           110 
      1  -0.411173D+00 -0.363610D+00 -0.935073D+00  0.333075D+00 -0.102589D+01
      2  -0.175714D+01  0.122818D+01  0.315019D+00  0.957128D-02 -0.352611D+00
      3   0.627714D+01 -0.687530D+00 -0.375270D+00 -0.121474D+01  0.456423D+00
               111           112           113           114           115 
      1   0.315161D+01 -0.428860D+00  0.355335D+01 -0.566627D+01  0.166672D+01
      2   0.662659D+00  0.465004D+00  0.429493D+00 -0.714753D+00 -0.156911D+01
      3   0.224295D+00  0.288463D+01  0.550373D+00 -0.359533D+00 -0.245672D+01
               116           117           118           119           120 
      1  -0.442549D+01  0.766642D+01  0.311339D+00  0.109020D+01  0.952320D+00
      2  -0.767864D+00  0.132600D+01  0.812757D+01 -0.145815D+01  0.102351D+02
      3   0.137156D+00 -0.776965D+00  0.176149D+01 -0.472422D+01  0.959691D+00
               121           122           123           124           125 
      1  -0.282091D+00 -0.497230D+00 -0.132074D+01  0.525224D+00  0.335428D+01
      2  -0.218343D+01  0.158352D+01 -0.617914D+01  0.929545D+01 -0.487089D+01
      3  -0.156839D+01  0.110327D+01 -0.879757D+00  0.226345D+01 -0.596216D+01
               126 
      1   0.198300D+01
      2   0.193243D+02
      3   0.431380D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.528440D+02 -0.372457D+01  0.354057D+01 -0.789919D+01  0.144467D+02
      2   0.268467D+02  0.167481D+01 -0.243298D+01  0.210400D+01 -0.143244D+02
      3   0.259973D+02  0.204976D+01 -0.110759D+01  0.579519D+01 -0.122281D+00
      4   0.108520D+01 -0.106023D+02 -0.282010D+01  0.120532D+02  0.176197D+01
      5   0.654298D+01 -0.231748D+01 -0.784326D+01  0.227905D+01 -0.568689D-03
      6  -0.272514D+01  0.105594D+01 -0.462460D+00  0.118129D+01  0.372512D+00
                 6             7             8             9            10 
      1   0.560235D+01  0.612037D+01  0.455013D+01  0.876587D+01  0.842605D+02
      2  -0.423992D+00 -0.615841D+01 -0.126624D+01  0.262134D+01 -0.394285D+02
      3  -0.517835D+01  0.380383D-01 -0.328389D+01 -0.113872D+02 -0.448321D+02
      4  -0.952523D+00  0.580990D+00  0.315915D+01 -0.204105D+01  0.425541D+01
      5  -0.362035D+01  0.379880D+01 -0.187821D+00 -0.329707D+01 -0.266089D+02
      6   0.444874D+01 -0.103659D+01  0.257796D+01  0.610479D+00  0.433922D+01
                11            12            13            14            15 
      1   0.111804D+02 -0.239289D+02  0.197354D+02 -0.245685D+01 -0.108050D+01
      2  -0.851477D+01  0.125457D+02 -0.158332D+02  0.186060D+02  0.959499D+00
      3  -0.266567D+01  0.113831D+02 -0.390223D+01 -0.161491D+02  0.120998D+00
      4   0.253606D+02  0.533062D+01  0.290382D+02 -0.481616D+01 -0.476248D+01
      5   0.497831D+01  0.625905D+01  0.456832D+01 -0.409233D+01  0.120675D+02
      6  -0.152725D+00  0.151445D+01 -0.710534D+00  0.468668D+01  0.116994D+02
                16            17            18            19            20 
      1  -0.287147D+02 -0.569836D+00 -0.798769D+01  0.841946D+00 -0.185493D+01
      2   0.186843D+02 -0.147819D+01 -0.449082D+01  0.146031D+01 -0.757628D+00
      3   0.100304D+02  0.204803D+01  0.124785D+02 -0.230226D+01  0.261256D+01
      4   0.812533D+01 -0.839820D+01  0.101847D+02 -0.164004D+01  0.583697D+01
      5   0.124024D+02  0.108119D+02 -0.388945D+02  0.298855D+01  0.165480D+01
      6   0.109777D+01  0.143156D+02  0.898391D+01 -0.610894D+00 -0.237592D+01
                21            22            23            24            25 
      1   0.947125D+00  0.256637D+01  0.552226D+01  0.399899D+01 -0.597157D+01
      2  -0.162903D+01 -0.210009D+01 -0.633156D+01  0.243061D+01  0.156475D+01
      3   0.681902D+00 -0.466279D+00  0.809306D+00 -0.642960D+01  0.440682D+01
      4   0.255014D+01 -0.724445D+01  0.658918D+01  0.174657D+01  0.408858D+01
      5   0.388133D+01  0.146789D+01  0.155219D+01  0.185162D+01 -0.591257D+00
      6   0.112992D+00  0.250408D+01 -0.280320D+00 -0.832070D+01  0.965494D+00
                26            27            28            29            30 
      1   0.485072D+01  0.469422D+01  0.501474D+01  0.278033D+01 -0.237442D+01
      2   0.134980D+01  0.102172D+02 -0.527635D+01 -0.496640D+01  0.176704D+01
      3  -0.620052D+01 -0.149114D+02  0.261612D+00  0.218608D+01  0.607378D+00
      4  -0.421088D+01 -0.285975D+00 -0.760355D+01 -0.226153D+01 -0.737515D+00
      5  -0.134183D+01 -0.970794D+00 -0.199522D+01  0.365236D+00  0.519303D+01
      6   0.188911D+01 -0.292122D+01 -0.177014D+01 -0.268417D+00  0.455142D+01
                31            32            33            34            35 
      1  -0.892109D+00 -0.129700D+02 -0.678150D+01  0.803365D+00 -0.838496D+01
      2  -0.183872D+01  0.224474D+02  0.613204D+01  0.359273D+00  0.864547D+01
      3   0.273083D+01 -0.947743D+01  0.649466D+00 -0.116264D+01 -0.260512D+00
      4   0.256728D+01 -0.602477D+01 -0.363850D+01 -0.124132D+01 -0.277213D+01
      5   0.999347D+00 -0.223802D+01  0.353717D+00  0.280183D+01  0.113398D+01
      6  -0.545848D+01  0.994739D+01 -0.625855D-01  0.494717D+01 -0.755930D+01
                36            37            38            39            40 
      1   0.452469D+01 -0.334312D+01  0.965028D+01  0.558917D-01 -0.641657D+01
      2  -0.822377D+01 -0.117202D+01 -0.110870D+02 -0.442538D+01  0.583990D+00
      3   0.369908D+01  0.451514D+01  0.143673D+01  0.436949D+01  0.583258D+01
      4   0.323378D+01 -0.221032D+01 -0.174893D+02 -0.667872D+01 -0.256690D+02
      5  -0.308636D+01 -0.212269D+01 -0.804222D+01 -0.966958D+01 -0.136347D+02
      6   0.123505D+02 -0.109546D+01 -0.428167D+00 -0.309745D+01 -0.117066D+01
                41            42            43            44            45 
      1   0.196823D-01 -0.103919D+01  0.363502D+01 -0.601494D+01 -0.437569D+01
      2  -0.133440D+02  0.611603D+01 -0.403524D+01 -0.590590D+00 -0.199772D+01
      3   0.133244D+02 -0.507684D+01  0.400212D+00  0.660553D+01  0.637341D+01
      4  -0.274515D+02 -0.457074D+01 -0.146973D+02  0.164035D+01 -0.221333D+01
      5  -0.531197D+01 -0.799810D+01 -0.289698D+01 -0.155867D+01  0.509514D+01
      6  -0.493175D+01 -0.889310D+01 -0.160405D+01  0.326121D+01 -0.557789D+01
                46            47            48            49            50 
      1   0.224097D+02  0.947771D+01  0.319107D+01  0.124148D+02 -0.121238D+02
      2  -0.693403D+01  0.203806D+01 -0.227851D+01  0.135428D+01  0.345503D+02
      3  -0.154756D+02 -0.115158D+02 -0.912553D+00 -0.137691D+02 -0.224265D+02
      4   0.257291D+02  0.271286D+02  0.639049D+01  0.326731D+02  0.541205D+02
      5   0.909065D+01  0.686626D+01  0.124330D+02  0.686259D+01  0.102942D+02
      6   0.278195D+01  0.218624D+01  0.556573D+01  0.422650D+01  0.642092D+01
                51            52            53            54            55 
      1  -0.268736D+01  0.326832D+01 -0.136223D+01 -0.151451D+01  0.423347D+02
      2   0.820033D+00 -0.156533D+01  0.133739D+01 -0.524599D+00 -0.255259D+02
      3   0.186733D+01 -0.170299D+01  0.248383D-01  0.203911D+01 -0.168089D+02
      4   0.872037D+01  0.647960D+01  0.604758D+01  0.142996D+02 -0.174135D+02
      5   0.150025D+02  0.144632D+02  0.143052D+02  0.107205D+02 -0.137097D+02
      6   0.144818D+02  0.661751D+01  0.123556D+02  0.664576D+01  0.237005D+01
                56            57            58            59            60 
      1  -0.562127D+01 -0.695543D+01  0.613207D+01  0.117240D+02 -0.261996D+01
      2   0.813969D+00  0.879108D+01 -0.707321D+01 -0.374713D+01  0.166030D+00
      3   0.480730D+01 -0.183565D+01  0.941143D+00 -0.797690D+01  0.245393D+01
      4   0.196933D+02  0.511638D+01  0.197130D+02 -0.572507D+01 -0.242399D+01
      5   0.441116D+01  0.168956D+02  0.961703D+00 -0.409593D+01 -0.146251D+01
      6  -0.134985D+01 -0.360101D+01 -0.714632D+00  0.141767D+01  0.686210D+01
                61            62            63            64            65 
      1  -0.388476D+01  0.237214D+01  0.339283D+01  0.156410D+00  0.138708D+00
      2   0.476633D+01 -0.189597D+01 -0.110695D+02 -0.351583D+01  0.675569D+00
      3  -0.881573D+00 -0.476172D+00  0.767665D+01  0.335942D+01 -0.814278D+00
      4   0.690921D+01 -0.505104D+01 -0.652443D+01 -0.512067D+00  0.774796D+00
      5   0.162871D+02 -0.599155D+01 -0.169218D+02 -0.836398D+00  0.969567D+00
      6  -0.206241D+01  0.491072D+01  0.325496D+01  0.112235D+01 -0.344267D+00
                66            67            68            69            70 
      1   0.115184D+01  0.134898D+00 -0.457524D+01 -0.359898D+01  0.152316D+01
      2   0.802846D+00  0.858026D+00  0.222367D+00 -0.184673D+01  0.765471D+00
      3  -0.195469D+01 -0.992924D+00  0.435287D+01  0.544571D+01 -0.228863D+01
      4   0.474221D+00  0.270095D+01 -0.863869D+00 -0.796157D-01  0.940494D+00
      5   0.428673D+01  0.115751D+01 -0.196029D+00 -0.508605D+00  0.424038D+01
      6  -0.181063D+00 -0.752131D+00  0.373525D+01  0.752312D+01 -0.799615D+00
                71            72            73            74            75 
      1  -0.244158D+01 -0.183021D+02  0.425913D+01 -0.641186D-01  0.257773D+01
      2  -0.402681D+01 -0.138230D+02 -0.476880D+01  0.205879D+00  0.973187D+00
      3   0.646838D+01  0.321250D+02  0.509669D+00 -0.141760D+00 -0.355092D+01
      4   0.966661D+00  0.165994D+00 -0.755343D+00  0.254970D+01 -0.907753D-01
      5   0.402986D+00  0.666529D+00 -0.209648D+01  0.736496D+00  0.592344D+01
      6   0.506434D+01  0.543128D+01  0.633041D+00 -0.571604D+00  0.381703D+00
                76            77            78            79            80 
      1   0.433377D+01 -0.402991D+01 -0.254527D+01  0.897825D+01  0.890235D+00
      2  -0.130125D+01  0.141676D+01 -0.160761D+01 -0.805576D+00 -0.130983D+01
      3  -0.303252D+01  0.261315D+01  0.415288D+01 -0.817267D+01  0.419593D+00
      4  -0.403623D+00  0.685729D+00  0.952320D+00 -0.188842D+01  0.251382D+00
      5   0.503376D+00  0.460584D+00  0.131448D+01  0.226743D+01 -0.790762D+00
      6  -0.700501D+00  0.371294D+00  0.352534D+01  0.114934D+01  0.357747D+01
                81            82            83            84            85 
      1  -0.220701D+02  0.115176D+01 -0.229358D+01  0.302130D+00 -0.100666D+02
      2  -0.821562D+01  0.199861D+01  0.312397D+01 -0.187385D-01  0.925007D+01
      3   0.302858D+02 -0.315037D+01 -0.830392D+00 -0.283392D+00  0.816537D+00
      4   0.743429D+00  0.166017D+01  0.638694D+01  0.499596D+00  0.221001D+01
      5   0.455900D+01 -0.186745D+00 -0.185782D+00  0.220776D+01 -0.725764D+00
      6  -0.445195D+01  0.323064D+00 -0.965116D+00  0.390116D+00 -0.168402D+01
                86            87            88            89            90 
      1  -0.216528D+02  0.305253D+01 -0.263021D+01 -0.447030D+00 -0.432563D+01
      2   0.289290D+02 -0.206212D+01  0.233799D+01  0.108544D+01  0.231538D+01
      3  -0.727615D+01 -0.990418D+00  0.292223D+00 -0.638414D+00  0.201025D+01
      4  -0.424276D+01  0.521257D+00  0.723014D-02 -0.129241D+01 -0.311468D+00
      5  -0.279923D+00 -0.258523D+00  0.662315D+00 -0.682492D+00 -0.353871D+00
      6  -0.551252D+01  0.404990D+01  0.143123D+01  0.427777D+01 -0.789491D+00
                91            92            93            94            95 
      1  -0.131834D+02 -0.549731D+01  0.219310D+01 -0.142873D+02 -0.883325D+01
      2   0.105609D+02  0.223105D+01 -0.315015D+01  0.826315D+01  0.984427D+01
      3   0.262250D+01  0.326627D+01  0.957049D+00  0.602412D+01 -0.101102D+01
      4  -0.228926D+01 -0.242765D+01 -0.946454D+00  0.416124D+01 -0.148641D+02
      5   0.384308D+01  0.199228D+00 -0.373163D+01  0.478960D+01 -0.281193D+01
      6  -0.167048D+01 -0.651615D+00 -0.108090D+01 -0.284078D+01  0.423242D+01
                96            97            98            99           100 
      1   0.896691D+00  0.141871D+01 -0.244463D+01 -0.294968D+01  0.566945D+01
      2  -0.749333D+00 -0.111821D+01  0.182748D+01  0.916530D+00  0.845026D+00
      3  -0.147358D+00 -0.300495D+00  0.617146D+00  0.203315D+01 -0.651448D+01
      4  -0.467149D+01  0.525218D+00 -0.240361D+01 -0.259175D+01  0.113796D+02
      5  -0.581080D+01  0.187342D+01 -0.259859D+01 -0.235000D+01 -0.383054D+00
      6   0.335958D+01 -0.618656D+00  0.382411D+01  0.382906D+01  0.269240D+01
               101           102           103           104           105 
      1  -0.953472D+01  0.187632D+01 -0.390624D+01 -0.218328D+01 -0.101483D+00
      2   0.131399D+02  0.633325D-01  0.666934D+01  0.634162D+01  0.554108D+00
      3  -0.360516D+01 -0.193966D+01 -0.276310D+01 -0.415834D+01 -0.452625D+00
      4   0.815688D+01  0.180341D+01  0.838435D+01  0.773986D+01  0.108845D+01
      5  -0.375217D-01 -0.840610D-01 -0.773583D+00  0.398512D+00  0.170978D+01
      6  -0.832911D+00  0.419935D+01  0.147900D-01 -0.532466D-01  0.263755D+01
               106           107           108           109           110 
      1  -0.588006D-01 -0.189074D+01 -0.148415D+01 -0.115675D+01  0.213140D+01
      2   0.454349D+00  0.216593D+01  0.746121D+00  0.147891D+01 -0.212194D+01
      3  -0.395549D+00 -0.275192D+00  0.738028D+00 -0.322159D+00 -0.945917D-02
      4   0.341929D+01  0.127490D+01  0.162339D+01 -0.231103D+01  0.465651D+01
      5   0.166080D+01  0.129430D+01  0.205677D+00  0.145460D+01 -0.241944D+01
      6   0.601972D+00  0.344741D+01  0.141884D+01 -0.292091D+01  0.359125D+01
               111           112           113           114           115 
      1  -0.149217D+01  0.165749D+01 -0.138900D+02  0.852957D+01 -0.286094D+01
      2   0.765945D+00 -0.199961D+01  0.160800D+02 -0.890306D+01  0.146628D+01
      3   0.726227D+00  0.342120D+00 -0.219002D+01  0.373490D+00  0.139466D+01
      4  -0.332296D+01  0.432466D+01 -0.267063D+01  0.188629D+01 -0.347119D+01
      5   0.355156D+01 -0.110600D+01  0.140483D+01 -0.106739D+01  0.329383D+01
      6  -0.578548D+01  0.224053D+01 -0.153603D+02  0.147709D+02 -0.499039D+01
               116           117           118           119           120 
      1   0.132532D+02 -0.136064D+02  0.264030D+02 -0.549095D+01  0.175747D+02
      2  -0.112904D+02  0.723065D+01 -0.175561D+02  0.290586D+01 -0.111042D+02
      3  -0.196277D+01  0.637578D+01 -0.884691D+01  0.258509D+01 -0.647052D+01
      4   0.330383D+01 -0.408168D+01 -0.841635D+01  0.770128D+01 -0.523462D+01
      5  -0.229535D+01  0.322477D+01  0.230140D+02 -0.484491D+01  0.237476D+02
      6   0.189322D+02 -0.194949D+02 -0.346905D+01  0.110716D+01 -0.250738D+01
               121           122           123           124           125 
      1  -0.414556D+01  0.692552D+00 -0.318168D+01  0.190440D+02 -0.391627D+01
      2   0.234064D+01 -0.707394D-01  0.152610D+01 -0.160458D+02  0.389071D+01
      3   0.180491D+01 -0.621812D+00  0.165559D+01 -0.299820D+01  0.255641D-01
      4   0.697173D+01 -0.328031D+01  0.517877D+01 -0.977768D+01  0.748441D+01
      5  -0.734932D+01  0.491642D+01 -0.115733D+02  0.312173D+02 -0.115432D+02
      6   0.285924D+01 -0.271226D+01  0.696840D+01 -0.474071D+01  0.459073D+01
               126 
      1   0.132047D+02
      2  -0.177359D+02
      3   0.453112D+01
      4  -0.122012D+02
      5   0.403974D+02
      6  -0.695565D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168738D+01      0.428889D+01      0.143062D+02
   x          0.126382D+01      0.321232D+01      0.107151D+02
   y          0.111109D+01      0.282410D+01      0.942018D+01
   z          0.124443D+00      0.316304D+00      0.105508D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.690623D+02      0.102340D+02      0.113868D+02
   aniso      0.245752D+02      0.364167D+01      0.405191D+01
   xx         0.842092D+02      0.124785D+02      0.138842D+02
   yx         0.105343D+01      0.156102D+00      0.173686D+00
   yy         0.666948D+02      0.988315D+01      0.109965D+02
   zx        -0.460358D+00     -0.682180D-01     -0.759028D-01
   zy         0.906411D+00      0.134316D+00      0.149447D+00
   zz         0.562831D+02      0.834029D+01      0.927982D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.766653D+02      0.113606D+02      0.126404D+02
   aniso      0.251311D+02      0.372405D+01      0.414356D+01
   xx         0.914806D+02      0.135560D+02      0.150831D+02
   yx         0.958062D+00      0.141970D+00      0.157963D+00
   yy         0.754649D+02      0.111827D+02      0.124425D+02
   zx        -0.100531D+01     -0.148972D+00     -0.165753D+00
   zy         0.233371D+01      0.345820D+00      0.384777D+00
   zz         0.630504D+02      0.934311D+01      0.103956D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.58112867         -1.86637353          0.40714837
    16          2.46131600         -2.29265450          3.29033860
     6          0.28819672          0.94977742         -0.16971886
     7         -1.18447295          2.22349955          1.79673540
     6         -1.07906137          1.16052260         -2.73251525
     8         -0.07908713          0.64073368         -4.69988145
     8         -3.48424416          1.90534065         -2.54138774
     1          2.16560639          1.77252208         -0.43886912
     1         -1.27497411         -2.71331578          0.68958041
     1          1.50783137         -2.77752793         -1.18237021
     1         -3.75437528          2.22197396         -0.72620678
     1         -0.94893408          1.35650657          3.48981572
     1         -0.65214473          4.04959856          2.00216909
     1          1.63230811         -4.62392650          3.84395850

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168738D+01      0.428889D+01      0.143062D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.168738D+01      0.428889D+01      0.143062D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.690623D+02      0.102340D+02      0.113868D+02
   aniso      0.245752D+02      0.364167D+01      0.405191D+01
   xx         0.653391D+02      0.968225D+01      0.107730D+02
   yx        -0.859864D+01     -0.127419D+01     -0.141772D+01
   yy         0.643083D+02      0.952951D+01      0.106030D+02
   zx         0.657279D+01      0.973987D+00      0.108371D+01
   zy        -0.547832D+01     -0.811804D+00     -0.903254D+00
   zz         0.775396D+02      0.114902D+02      0.127846D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.766653D+02      0.113606D+02      0.126404D+02
   aniso      0.251311D+02      0.372405D+01      0.414356D+01
   xx         0.740576D+02      0.109742D+02      0.122105D+02
   yx        -0.952667D+01     -0.141171D+01     -0.157074D+01
   yy         0.704958D+02      0.104464D+02      0.116232D+02
   zx         0.568445D+01      0.842349D+00      0.937240D+00
   zy        -0.514813D+01     -0.762875D+00     -0.848813D+00
   zz         0.854425D+02      0.126613D+02      0.140876D+02

 ----------------------------------------------------------------------
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 00486,-0.00000581,-0.00000471,-0.00000193,0.00000044,0.00000155,0.0000
 0068,-0.00000095,0.00000009,0.00000196,-0.00000112,0.00000104,0.000001
 34,0.00000496,0.00000130,-0.00000091,0.00000041,0.00000023,-0.00000042
 ,0.00000085,0.00000170,-0.00000037,-0.00000046,0.00000129\\\@


 AS FAR AS THE LAWS OF MATHEMATICS REFER TO REALITY,
 THEY ARE NOT CERTAIN; AND AS FAR AS THEY ARE CERTAIN,
 THEY DO NOT REFER TO REALITY.

                                         -- ALBERT EINSTEIN
 Job cpu time:       0 days  1 hours 23 minutes 59.8 seconds.
 Elapsed time:       0 days  0 hours 10 minutes 32.8 seconds.
 File lengths (MBytes):  RWF=    218 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:16:19 2021.
